A1EPE

~{N}-[1-methyl-3-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5~{H}-pyrrolo[2,3-b]pyrazin-7-yl]indol-6-yl]propanamide

Created:	2025-04-18
Last modified:	2025-09-24

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1 entries where A1EPE is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	67
Chiral Atom Count	0
Bond Count	72
Aromatic Bond Count	25

2D diagram of A1EPE

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Chemical Component Summary
Name	~{N}-[1-methyl-3-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5~{H}-pyrrolo[2,3-b]pyrazin-7-yl]indol-6-yl]propanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[1-methyl-3-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5~{H}-pyrrolo[2,3-b]pyrazin-7-yl]indol-6-yl]propanamide
Formula	C₂₇ H₃₀ N₈ O₂
Molecular Weight	498.58
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)Nc1ccc2c(c1)n(C)cc2c3c[nH]c4ncc(nc34)c5cnn(CCN6CCOCC6)c5
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)Nc1ccc2c(c1)n(cc2c3c[nH]c4c3nc(cn4)c5cnn(c5)CCN6CCOCC6)C
Canonical SMILES	CACTVS	3.385	CCC(=O)Nc1ccc2c(c1)n(C)cc2c3c[nH]c4ncc(nc34)c5cnn(CCN6CCOCC6)c5
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)Nc1ccc2c(c1)n(cc2c3c[nH]c4c3nc(cn4)c5cnn(c5)CCN6CCOCC6)C
InChI	InChI	1.06	InChI=1S/C27H30N8O2/c1-3-25(36)31-19-4-5-20-22(17-33(2)24(20)12-19)21-14-28-27-26(21)32-23(15-29-27)18-13-30-35(16-18)7-6-34-8-10-37-11-9-34/h4-5,12-17H,3,6-11H2,1-2H3,(H,28,29)(H,31,36)
InChIKey	InChI	1.06	DBNYONJTINHFCI-UHFFFAOYSA-N

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