(1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C34H38N8O4 — CID 140932757

IUPAC(1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCOc1ccc(CNc2nccc3c2CC[C@H]3NC(=O)c2cnn(Cc3ccc(N4C[C@@H]5C(C(N)=O)[C@@H]5C4)nc3C)c2)c(OC)c1
InChIInChI=1S/C34H38N8O4/c1-19-21(5-9-30(39-19)41-17-26-27(18-41)31(26)32(35)43)15-42-16-22(14-38-42)34(44)40-28-8-7-25-24(28)10-11-36-33(25)37-13-20-4-6-23(45-2)12-29(20)46-3/h4-6,9-12,14,16,26-28,31H,7-8,13,15,17-18H2,1-3H3,(H2,35,43)(H,36,37)(H,40,44)/t26-,27+,28-,31?/m1/s1
InChIKeyRPTSQCHJGHOWGQ-GLEKGGKISA-N
MW622.73 g/mol
LogP3.24
Rot. Bonds11

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

(1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 140932757) has the molecular formula C34H38N8O4 and a molecular weight of 622.73 g/mol. Its IUPAC name is (1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID140932757
Molecular FormulaC34H38N8O4
Molecular Weight622.73 g/mol
Exact Mass622.30
IUPAC Name(1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCOc1ccc(CNc2nccc3c2CC[C@H]3NC(=O)c2cnn(Cc3ccc(N4C[C@@H]5C(C(N)=O)[C@@H]5C4)nc3C)c2)c(OC)c1
InChIInChI=1S/C34H38N8O4/c1-19-21(5-9-30(39-19)41-17-26-27(18-41)31(26)32(35)43)15-42-16-22(14-38-42)34(44)40-28-8-7-25-24(28)10-11-36-33(25)37-13-20-4-6-23(45-2)12-29(20)46-3/h4-6,9-12,14,16,26-28,31H,7-8,13,15,17-18H2,1-3H3,(H2,35,43)(H,36,37)(H,40,44)/t26-,27+,28-,31?/m1/s1
InChIKeyRPTSQCHJGHOWGQ-GLEKGGKISA-N
XLogP3.24
TPSA149.52 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.73
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 140932757) is (1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is COc1ccc(CNc2nccc3c2CC[C@H]3NC(=O)c2cnn(Cc3ccc(N4C[C@@H]5C(C(N)=O)[C@@H]5C4)nc3C)c2)c(OC)c1.
What is the InChIKey of (1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is RPTSQCHJGHOWGQ-GLEKGGKISA-N. The full InChI is InChI=1S/C34H38N8O4/c1-19-21(5-9-30(39-19)41-17-26-27(18-41)31(26)32(35)43)15-42-16-22(14-38-42)34(44)40-28-8-7-25-24(28)10-11-36-33(25)37-13-20-4-6-23(45-2)12-29(20)46-3/h4-6,9-12,14,16,26-28,31H,7-8,13,15,17-18H2,1-3H3,(H2,35,43)(H,36,37)(H,40,44)/t26-,27+,28-,31?/m1/s1.
What are the key properties of (1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 622.73 g/mol, XLogP of 3.24, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 140932757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).