1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

C23H25N7O3 — CID 71009501

IUPAC1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc32)n1
InChIInChI=1S/C23H25N7O3/c1-12(2)15-4-3-5-19(26-15)27-23(33)17-9-13-8-16(13)30(17)20(31)11-29-18-10-25-7-6-14(18)21(28-29)22(24)32/h3-7,10,12-13,16-17H,8-9,11H2,1-2H3,(H2,24,32)(H,26,27,33)/t13-,16-,17+/m1/s1
InChIKeyBDBIOFWNVISLBW-XYPHTWIQSA-N
MW447.50 g/mol
LogP1.68
Rot. Bonds6

About 1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 71009501) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID71009501
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc32)n1
InChIInChI=1S/C23H25N7O3/c1-12(2)15-4-3-5-19(26-15)27-23(33)17-9-13-8-16(13)30(17)20(31)11-29-18-10-25-7-6-14(18)21(28-29)22(24)32/h3-7,10,12-13,16-17H,8-9,11H2,1-2H3,(H2,24,32)(H,26,27,33)/t13-,16-,17+/m1/s1
InChIKeyBDBIOFWNVISLBW-XYPHTWIQSA-N
XLogP1.68
TPSA136.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 71009501) is 1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is CC(C)c1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc32)n1.
What is the InChIKey of 1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is BDBIOFWNVISLBW-XYPHTWIQSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-12(2)15-4-3-5-19(26-15)27-23(33)17-9-13-8-16(13)30(17)20(31)11-29-18-10-25-7-6-14(18)21(28-29)22(24)32/h3-7,10,12-13,16-17H,8-9,11H2,1-2H3,(H2,24,32)(H,26,27,33)/t13-,16-,17+/m1/s1.
What are the key properties of 1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 71009501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).