(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C25H24ClN5O3 — CID 90020357

IUPAC(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2C[C@@H]2c2cccc(Cl)c2)c2ncccc12
InChIInChI=1S/C25H24ClN5O3/c1-13(32)23-17-6-3-7-27-24(17)30(29-23)12-22(33)31-20-9-15(20)10-21(31)25(34)28-19-11-18(19)14-4-2-5-16(26)8-14/h2-8,15,18-21H,9-12H2,1H3,(H,28,34)/t15-,18-,19?,20-,21+/m1/s1
InChIKeyILVYIAYQOASYTJ-VMUCITLISA-N
MW477.95 g/mol
LogP2.95
Rot. Bonds6

About (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 90020357) has the molecular formula C25H24ClN5O3 and a molecular weight of 477.95 g/mol. Its IUPAC name is (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID90020357
Molecular FormulaC25H24ClN5O3
Molecular Weight477.95 g/mol
Exact Mass477.16
IUPAC Name(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2C[C@@H]2c2cccc(Cl)c2)c2ncccc12
InChIInChI=1S/C25H24ClN5O3/c1-13(32)23-17-6-3-7-27-24(17)30(29-23)12-22(33)31-20-9-15(20)10-21(31)25(34)28-19-11-18(19)14-4-2-5-16(26)8-14/h2-8,15,18-21H,9-12H2,1H3,(H,28,34)/t15-,18-,19?,20-,21+/m1/s1
InChIKeyILVYIAYQOASYTJ-VMUCITLISA-N
XLogP2.95
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Related Compounds

1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 71009425
1-[2-[(1R,3S,5R)-3-[[(1S)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 162653617
[(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl] N-(3,3-dimethylbutyl)carbamate
CID 130234477
(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72721573
1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide
CID 90019431
(1R,3S)-2-[2-(3-acetyl-5-methylindazol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 163586816
(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-N-[(2,2-dichloro-3-methylcyclopropyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72709395
CID 167490859
CID 167490859
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-(4,4-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72721170
1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide
CID 118073417
(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-N-(3,3-dimethylbutyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72699520
(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 71009260

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 90020357) is (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2C[C@@H]2c2cccc(Cl)c2)c2ncccc12.
What is the InChIKey of (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is ILVYIAYQOASYTJ-VMUCITLISA-N. The full InChI is InChI=1S/C25H24ClN5O3/c1-13(32)23-17-6-3-7-27-24(17)30(29-23)12-22(33)31-20-9-15(20)10-21(31)25(34)28-19-11-18(19)14-4-2-5-16(26)8-14/h2-8,15,18-21H,9-12H2,1H3,(H,28,34)/t15-,18-,19?,20-,21+/m1/s1.
What are the key properties of (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 477.95 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(2R)-2-(3-chlorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 90020357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).