1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide

C35H41N7O3 — CID 140932754

IUPAC1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide
SMILESCOc1ccc(CNc2nc(C)cc3c2CC[C@H]3NC(=O)c2cn(Cc3ccc(N4CC5CC5C4)nc3C)nc2C)c(OC)c1
InChIInChI=1S/C35H41N7O3/c1-20-12-29-28(34(37-20)36-15-23-6-8-27(44-4)14-32(23)45-5)9-10-31(29)39-35(43)30-19-42(40-22(30)3)18-24-7-11-33(38-21(24)2)41-16-25-13-26(25)17-41/h6-8,11-12,14,19,25-26,31H,9-10,13,15-18H2,1-5H3,(H,36,37)(H,39,43)/t25?,26?,31-/m1/s1
InChIKeyPQXOFAKBCRDHCR-FJGWTWLBSA-N
MW607.76 g/mol
LogP5.15
Rot. Bonds10

About 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide

1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide (PubChem CID 140932754) has the molecular formula C35H41N7O3 and a molecular weight of 607.76 g/mol. Its IUPAC name is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide
PubChem CID140932754
Molecular FormulaC35H41N7O3
Molecular Weight607.76 g/mol
Exact Mass607.33
IUPAC Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide
SMILESCOc1ccc(CNc2nc(C)cc3c2CC[C@H]3NC(=O)c2cn(Cc3ccc(N4CC5CC5C4)nc3C)nc2C)c(OC)c1
InChIInChI=1S/C35H41N7O3/c1-20-12-29-28(34(37-20)36-15-23-6-8-27(44-4)14-32(23)45-5)9-10-31(29)39-35(43)30-19-42(40-22(30)3)18-24-7-11-33(38-21(24)2)41-16-25-13-26(25)17-41/h6-8,11-12,14,19,25-26,31H,9-10,13,15-18H2,1-5H3,(H,36,37)(H,39,43)/t25?,26?,31-/m1/s1
InChIKeyPQXOFAKBCRDHCR-FJGWTWLBSA-N
XLogP5.15
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.76
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide (CID 140932754) is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide is COc1ccc(CNc2nc(C)cc3c2CC[C@H]3NC(=O)c2cn(Cc3ccc(N4CC5CC5C4)nc3C)nc2C)c(OC)c1.
What is the InChIKey of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide?
The InChIKey is PQXOFAKBCRDHCR-FJGWTWLBSA-N. The full InChI is InChI=1S/C35H41N7O3/c1-20-12-29-28(34(37-20)36-15-23-6-8-27(44-4)14-32(23)45-5)9-10-31(29)39-35(43)30-19-42(40-22(30)3)18-24-7-11-33(38-21(24)2)41-16-25-13-26(25)17-41/h6-8,11-12,14,19,25-26,31H,9-10,13,15-18H2,1-5H3,(H,36,37)(H,39,43)/t25?,26?,31-/m1/s1.
What are the key properties of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide?
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide has a molecular weight of 607.76 g/mol, XLogP of 5.15, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 140932754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).