1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

C21H24F2N6O3 — CID 72721373

IUPAC1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2CCCCC2(F)F)c2cnccc12
InChIInChI=1S/C21H24F2N6O3/c22-21(23)5-2-1-3-16(21)26-20(32)14-8-11-7-13(11)29(14)17(30)10-28-15-9-25-6-4-12(15)18(27-28)19(24)31/h4,6,9,11,13-14,16H,1-3,5,7-8,10H2,(H2,24,31)(H,26,32)/t11-,13-,14+,16?/m1/s1
InChIKeyPEWHRSAFXWWIFV-ILMGOGQSSA-N
MW446.46 g/mol
LogP1.21
Rot. Bonds5

About 1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 72721373) has the molecular formula C21H24F2N6O3 and a molecular weight of 446.46 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID72721373
Molecular FormulaC21H24F2N6O3
Molecular Weight446.46 g/mol
Exact Mass446.19
IUPAC Name1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2CCCCC2(F)F)c2cnccc12
InChIInChI=1S/C21H24F2N6O3/c22-21(23)5-2-1-3-16(21)26-20(32)14-8-11-7-13(11)29(14)17(30)10-28-15-9-25-6-4-12(15)18(27-28)19(24)31/h4,6,9,11,13-14,16H,1-3,5,7-8,10H2,(H2,24,31)(H,26,32)/t11-,13-,14+,16?/m1/s1
InChIKeyPEWHRSAFXWWIFV-ILMGOGQSSA-N
XLogP1.21
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 72721373) is 1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2CCCCC2(F)F)c2cnccc12.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is PEWHRSAFXWWIFV-ILMGOGQSSA-N. The full InChI is InChI=1S/C21H24F2N6O3/c22-21(23)5-2-1-3-16(21)26-20(32)14-8-11-7-13(11)29(14)17(30)10-28-15-9-25-6-4-12(15)18(27-28)19(24)31/h4,6,9,11,13-14,16H,1-3,5,7-8,10H2,(H2,24,31)(H,26,32)/t11-,13-,14+,16?/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 1.21, 5 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-[(2,2-difluorocyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 72721373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).