1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide

C24H24ClFN6O3 — CID 71009530

IUPAC1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1nccc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)N[C@H](C)c3cccc(Cl)c3F)c12
InChIInChI=1S/C24H24ClFN6O3/c1-11(14-4-3-5-16(25)20(14)26)29-24(35)18-9-13-8-17(13)32(18)19(33)10-31-22-12(2)28-7-6-15(22)21(30-31)23(27)34/h3-7,11,13,17-18H,8-10H2,1-2H3,(H2,27,34)(H,29,35)/t11-,13-,17-,18+/m1/s1
InChIKeyVHDZNWIHGSBCAC-IBKQYLNMSA-N
MW498.95 g/mol
LogP2.50
Rot. Bonds6

About 1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 71009530) has the molecular formula C24H24ClFN6O3 and a molecular weight of 498.95 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID71009530
Molecular FormulaC24H24ClFN6O3
Molecular Weight498.95 g/mol
Exact Mass498.16
IUPAC Name1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1nccc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)N[C@H](C)c3cccc(Cl)c3F)c12
InChIInChI=1S/C24H24ClFN6O3/c1-11(14-4-3-5-16(25)20(14)26)29-24(35)18-9-13-8-17(13)32(18)19(33)10-31-22-12(2)28-7-6-15(22)21(30-31)23(27)34/h3-7,11,13,17-18H,8-10H2,1-2H3,(H2,27,34)(H,29,35)/t11-,13-,17-,18+/m1/s1
InChIKeyVHDZNWIHGSBCAC-IBKQYLNMSA-N
XLogP2.50
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.95
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-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 1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide (CID 71009530) is 1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide is Cc1nccc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)N[C@H](C)c3cccc(Cl)c3F)c12.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is VHDZNWIHGSBCAC-IBKQYLNMSA-N. The full InChI is InChI=1S/C24H24ClFN6O3/c1-11(14-4-3-5-16(25)20(14)26)29-24(35)18-9-13-8-17(13)32(18)19(33)10-31-22-12(2)28-7-6-15(22)21(30-31)23(27)34/h3-7,11,13,17-18H,8-10H2,1-2H3,(H2,27,34)(H,29,35)/t11-,13-,17-,18+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 498.95 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 71009530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).