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

C20H19F3N8O3 — CID 72950835

IUPAC1-[2-oxo-2-[(1R,3S,5R)-3-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2ccn(CC(F)(F)F)n2)c2cnccc12
InChIInChI=1S/C20H19F3N8O3/c21-20(22,23)9-29-4-2-15(27-29)26-19(34)13-6-10-5-12(10)31(13)16(32)8-30-14-7-25-3-1-11(14)17(28-30)18(24)33/h1-4,7,10,12-13H,5-6,8-9H2,(H2,24,33)(H,26,27,34)/t10-,12-,13+/m1/s1
InChIKeySLJMBBRWVWJIRD-RTXFEEFZSA-N
MW476.42 g/mol
LogP0.92
Rot. Bonds6

About 1-[2-oxo-2-[(1R,3S,5R)-3-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]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-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 72950835) has the molecular formula C20H19F3N8O3 and a molecular weight of 476.42 g/mol. Its IUPAC name is 1-[2-oxo-2-[(1R,3S,5R)-3-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]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-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID72950835
Molecular FormulaC20H19F3N8O3
Molecular Weight476.42 g/mol
Exact Mass476.15
IUPAC Name1-[2-oxo-2-[(1R,3S,5R)-3-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2ccn(CC(F)(F)F)n2)c2cnccc12
InChIInChI=1S/C20H19F3N8O3/c21-20(22,23)9-29-4-2-15(27-29)26-19(34)13-6-10-5-12(10)31(13)16(32)8-30-14-7-25-3-1-11(14)17(28-30)18(24)33/h1-4,7,10,12-13H,5-6,8-9H2,(H2,24,33)(H,26,27,34)/t10-,12-,13+/m1/s1
InChIKeySLJMBBRWVWJIRD-RTXFEEFZSA-N
XLogP0.92
TPSA141.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-oxo-2-[(1R,3S,5R)-3-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]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-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]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-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 72950835) is 1-[2-oxo-2-[(1R,3S,5R)-3-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]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-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]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-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2ccn(CC(F)(F)F)n2)c2cnccc12.
What is the InChIKey of 1-[2-oxo-2-[(1R,3S,5R)-3-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is SLJMBBRWVWJIRD-RTXFEEFZSA-N. The full InChI is InChI=1S/C20H19F3N8O3/c21-20(22,23)9-29-4-2-15(27-29)26-19(34)13-6-10-5-12(10)31(13)16(32)8-30-14-7-25-3-1-11(14)17(28-30)18(24)33/h1-4,7,10,12-13H,5-6,8-9H2,(H2,24,33)(H,26,27,34)/t10-,12-,13+/m1/s1.
What are the key properties of 1-[2-oxo-2-[(1R,3S,5R)-3-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]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-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 476.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(1R,3S,5R)-3-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 72950835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).