A1LZZ

(4R,6S)-N-cyclohexyl-1-methyl-6-[[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxidanylidene-pyrazolo[4,3-c]pyridin-2-yl]methyl]azepane-4-carboxamide

Created:2024-04-01
Last modified:  2025-03-12

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Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count2
Bond Count76
Aromatic Bond Count10
2D diagram of A1LZZ
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Chemical Component Summary

Name(4R,6S)-N-cyclohexyl-1-methyl-6-[[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxidanylidene-pyrazolo[4,3-c]pyridin-2-yl]methyl]azepane-4-carboxamide
Systematic Name (OpenEye OEToolkits)(4~{R},6~{S})-~{N}-cyclohexyl-1-methyl-6-[[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxidanylidene-pyrazolo[4,3-c]pyridin-2-yl]methyl]azepane-4-carboxamide
FormulaC26 H37 N7 O2
Molecular Weight479.618
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN1CC[CH](C[CH](C1)Cn2cc3C(=O)N(C)C=C(c4ccn(C)n4)c3n2)C(=O)NC5CCCCC5
SMILESOpenEye OEToolkits2.0.7Cn1ccc(n1)C2=CN(C(=O)c3c2nn(c3)CC4CC(CCN(C4)C)C(=O)NC5CCCCC5)C
Canonical SMILESCACTVS3.385 CN1CC[C@@H](C[C@@H](C1)Cn2cc3C(=O)N(C)C=C(c4ccn(C)n4)c3n2)C(=O)NC5CCCCC5
Canonical SMILESOpenEye OEToolkits2.0.7 Cn1ccc(n1)C2=CN(C(=O)c3c2nn(c3)C[C@H]4C[C@H](CCN(C4)C)C(=O)NC5CCCCC5)C
InChIInChI1.06 InChI=1S/C26H37N7O2/c1-30-11-9-19(25(34)27-20-7-5-4-6-8-20)13-18(14-30)15-33-17-22-24(29-33)21(16-31(2)26(22)35)23-10-12-32(3)28-23/h10,12,16-20H,4-9,11,13-15H2,1-3H3,(H,27,34)/t18-,19-/m0/s1
InChIKeyInChI1.06 DFZFJCROMQNFGV-OALUTQOASA-N

Related Resource References

Resource NameReference
PubChem 172868980