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

C27H24FN7O3 — CID 71009658

IUPAC1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(3-methyl-2-pyridinyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cccnc1-c1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc32)c1F
InChIInChI=1S/C27H24FN7O3/c1-14-4-3-8-31-24(14)17-5-2-6-18(23(17)28)32-27(38)20-11-15-10-19(15)35(20)22(36)13-34-21-12-30-9-7-16(21)25(33-34)26(29)37/h2-9,12,15,19-20H,10-11,13H2,1H3,(H2,29,37)(H,32,38)/t15-,19-,20+/m1/s1
InChIKeyFUVNWNPQHQEHSE-YSGRDPCXSA-N
MW513.53 g/mol
LogP2.67
Rot. Bonds6

About 1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(3-methyl-2-pyridinyl)phenyl]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-fluoro-3-(3-methyl-2-pyridinyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 71009658) has the molecular formula C27H24FN7O3 and a molecular weight of 513.53 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(3-methyl-2-pyridinyl)phenyl]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-fluoro-3-(3-methyl-2-pyridinyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID71009658
Molecular FormulaC27H24FN7O3
Molecular Weight513.53 g/mol
Exact Mass513.19
IUPAC Name1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(3-methyl-2-pyridinyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cccnc1-c1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc32)c1F
InChIInChI=1S/C27H24FN7O3/c1-14-4-3-8-31-24(14)17-5-2-6-18(23(17)28)32-27(38)20-11-15-10-19(15)35(20)22(36)13-34-21-12-30-9-7-16(21)25(33-34)26(29)37/h2-9,12,15,19-20H,10-11,13H2,1H3,(H2,29,37)(H,32,38)/t15-,19-,20+/m1/s1
InChIKeyFUVNWNPQHQEHSE-YSGRDPCXSA-N
XLogP2.67
TPSA136.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.53
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(3-methyl-2-pyridinyl)phenyl]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-fluoro-3-(3-methyl-2-pyridinyl)phenyl]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-fluoro-3-(3-methyl-2-pyridinyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 71009658) is 1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(3-methyl-2-pyridinyl)phenyl]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-fluoro-3-(3-methyl-2-pyridinyl)phenyl]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-fluoro-3-(3-methyl-2-pyridinyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is Cc1cccnc1-c1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc32)c1F.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(3-methyl-2-pyridinyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is FUVNWNPQHQEHSE-YSGRDPCXSA-N. The full InChI is InChI=1S/C27H24FN7O3/c1-14-4-3-8-31-24(14)17-5-2-6-18(23(17)28)32-27(38)20-11-15-10-19(15)35(20)22(36)13-34-21-12-30-9-7-16(21)25(33-34)26(29)37/h2-9,12,15,19-20H,10-11,13H2,1H3,(H2,29,37)(H,32,38)/t15-,19-,20+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(3-methyl-2-pyridinyl)phenyl]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-fluoro-3-(3-methyl-2-pyridinyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 513.53 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(3-methyl-2-pyridinyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 71009658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).