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

C23H20F4N6O4 — CID 71009442

IUPAC1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]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)Nc3cccc(OC(F)(F)F)c3F)c12
InChIInChI=1S/C23H20F4N6O4/c1-10-20-12(5-6-29-10)19(21(28)35)31-32(20)9-17(34)33-14-7-11(14)8-15(33)22(36)30-13-3-2-4-16(18(13)24)37-23(25,26)27/h2-6,11,14-15H,7-9H2,1H3,(H2,28,35)(H,30,36)/t11-,14-,15+/m1/s1
InChIKeySVLMXKGPPBDZKX-DFBGVHRSSA-N
MW520.44 g/mol
LogP2.50
Rot. Bonds6

About 1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]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-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 71009442) has the molecular formula C23H20F4N6O4 and a molecular weight of 520.44 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]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-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID71009442
Molecular FormulaC23H20F4N6O4
Molecular Weight520.44 g/mol
Exact Mass520.15
IUPAC Name1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]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)Nc3cccc(OC(F)(F)F)c3F)c12
InChIInChI=1S/C23H20F4N6O4/c1-10-20-12(5-6-29-10)19(21(28)35)31-32(20)9-17(34)33-14-7-11(14)8-15(33)22(36)30-13-3-2-4-16(18(13)24)37-23(25,26)27/h2-6,11,14-15H,7-9H2,1H3,(H2,28,35)(H,30,36)/t11-,14-,15+/m1/s1
InChIKeySVLMXKGPPBDZKX-DFBGVHRSSA-N
XLogP2.50
TPSA132.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[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-(trifluoromethoxy)phenyl]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-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide (CID 71009442) is 1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]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-[[2-fluoro-3-(trifluoromethoxy)phenyl]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-[[2-fluoro-3-(trifluoromethoxy)phenyl]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)Nc3cccc(OC(F)(F)F)c3F)c12.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is SVLMXKGPPBDZKX-DFBGVHRSSA-N. The full InChI is InChI=1S/C23H20F4N6O4/c1-10-20-12(5-6-29-10)19(21(28)35)31-32(20)9-17(34)33-14-7-11(14)8-15(33)22(36)30-13-3-2-4-16(18(13)24)37-23(25,26)27/h2-6,11,14-15H,7-9H2,1H3,(H2,28,35)(H,30,36)/t11-,14-,15+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]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-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 520.44 g/mol, XLogP of 2.50, 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-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 71009442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).