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]pyrazole-4-carboxamide

C34H39N7O3 — CID 140932703

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]pyrazole-4-carboxamide
SMILESCOc1ccc(CNc2nc(C)cc3c2CC[C@H]3NC(=O)c2cnn(Cc3ccc(N4CC5CC5C4)nc3C)c2)c(OC)c1
InChIInChI=1S/C34H39N7O3/c1-20-11-29-28(33(37-20)35-14-22-5-7-27(43-3)13-31(22)44-4)8-9-30(29)39-34(42)26-15-36-41(19-26)18-23-6-10-32(38-21(23)2)40-16-24-12-25(24)17-40/h5-7,10-11,13,15,19,24-25,30H,8-9,12,14,16-18H2,1-4H3,(H,35,37)(H,39,42)/t24?,25?,30-/m1/s1
InChIKeyGZZHYVPFAKNHHH-NZAOONQGSA-N
MW593.73 g/mol
LogP4.84
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]pyrazole-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]pyrazole-4-carboxamide (PubChem CID 140932703) has the molecular formula C34H39N7O3 and a molecular weight of 593.73 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]pyrazole-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]pyrazole-4-carboxamide
PubChem CID140932703
Molecular FormulaC34H39N7O3
Molecular Weight593.73 g/mol
Exact Mass593.31
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]pyrazole-4-carboxamide
SMILESCOc1ccc(CNc2nc(C)cc3c2CC[C@H]3NC(=O)c2cnn(Cc3ccc(N4CC5CC5C4)nc3C)c2)c(OC)c1
InChIInChI=1S/C34H39N7O3/c1-20-11-29-28(33(37-20)35-14-22-5-7-27(43-3)13-31(22)44-4)8-9-30(29)39-34(42)26-15-36-41(19-26)18-23-6-10-32(38-21(23)2)40-16-24-12-25(24)17-40/h5-7,10-11,13,15,19,24-25,30H,8-9,12,14,16-18H2,1-4H3,(H,35,37)(H,39,42)/t24?,25?,30-/m1/s1
InChIKeyGZZHYVPFAKNHHH-NZAOONQGSA-N
XLogP4.84
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.73
LogP ≤ 54.84
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]pyrazole-4-carboxamide with MolForge

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Related Compounds

US10501440, Example 21
CID 135362160
US10501440, Example 13
CID 140932709
US10501440, Example 15
CID 140932754
US10501440, Example 22
CID 140932737
N-[(2,4-Dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 53109677
tert-butyl 2-[(1R,2R)-2-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]acetate
CID 58317597
2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-6-[[(4R)-2-methyl-5-oxoheptan-4-yl]amino]-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one
CID 58317619
tert-butyl-[(1S,2R)-2-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamic acid
CID 67237955
6-((3R,4R)-3-Aminotetrahydro-2H-pyran-4-ylamino)-2-(2,4-dimethoxybenzyl)-7-fluoro-4-(pyrazolo[1,5-a]pyridin-3-yl)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 67238279
6-((1R,2S)-2-aminocyclohexylamino)-2-(2,4-dimethoxybenzyl)-7-fluoro-1-methyl-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 67238382
(R)-2-(2-(2,4-Dimethoxybenzyl)-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-ylamino)-N,4-dimethylpentanamide
CID 67238387
2-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]-N,4-dimethylpentanamide
CID 67238388

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]pyrazole-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]pyrazole-4-carboxamide (CID 140932703) 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]pyrazole-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]pyrazole-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]pyrazole-4-carboxamide is COc1ccc(CNc2nc(C)cc3c2CC[C@H]3NC(=O)c2cnn(Cc3ccc(N4CC5CC5C4)nc3C)c2)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]pyrazole-4-carboxamide?
The InChIKey is GZZHYVPFAKNHHH-NZAOONQGSA-N. The full InChI is InChI=1S/C34H39N7O3/c1-20-11-29-28(33(37-20)35-14-22-5-7-27(43-3)13-31(22)44-4)8-9-30(29)39-34(42)26-15-36-41(19-26)18-23-6-10-32(38-21(23)2)40-16-24-12-25(24)17-40/h5-7,10-11,13,15,19,24-25,30H,8-9,12,14,16-18H2,1-4H3,(H,35,37)(H,39,42)/t24?,25?,30-/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]pyrazole-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]pyrazole-4-carboxamide has a molecular weight of 593.73 g/mol, XLogP of 4.84, 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]pyrazole-4-carboxamide is sourced from PubChem (CID 140932703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).