1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide

C22H20F5N5O3S — CID 118796778

IUPAC1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C22H20F5N5O3S/c23-36(24,25,26,27)14-5-3-4-13(10-14)29-22(35)18-9-12-8-17(12)32(18)19(33)11-31-16-7-2-1-6-15(16)20(30-31)21(28)34/h1-7,10,12,17-18H,8-9,11H2,(H2,28,34)(H,29,35)/t12-,17-,18+/m1/s1
InChIKeyYOBAWNCHDFCGAT-PJSAGSTRSA-N
MW529.49 g/mol
LogP4.42
Rot. Bonds6

About 1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide

1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide (PubChem CID 118796778) has the molecular formula C22H20F5N5O3S and a molecular weight of 529.49 g/mol. Its IUPAC name is 1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide
PubChem CID118796778
Molecular FormulaC22H20F5N5O3S
Molecular Weight529.49 g/mol
Exact Mass529.12
IUPAC Name1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C22H20F5N5O3S/c23-36(24,25,26,27)14-5-3-4-13(10-14)29-22(35)18-9-12-8-17(12)32(18)19(33)11-31-16-7-2-1-6-15(16)20(30-31)21(28)34/h1-7,10,12,17-18H,8-9,11H2,(H2,28,34)(H,29,35)/t12-,17-,18+/m1/s1
InChIKeyYOBAWNCHDFCGAT-PJSAGSTRSA-N
XLogP4.42
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.49
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide (CID 118796778) is 1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c2ccccc12.
What is the InChIKey of 1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide?
The InChIKey is YOBAWNCHDFCGAT-PJSAGSTRSA-N. The full InChI is InChI=1S/C22H20F5N5O3S/c23-36(24,25,26,27)14-5-3-4-13(10-14)29-22(35)18-9-12-8-17(12)32(18)19(33)11-31-16-7-2-1-6-15(16)20(30-31)21(28)34/h1-7,10,12,17-18H,8-9,11H2,(H2,28,34)(H,29,35)/t12-,17-,18+/m1/s1.
What are the key properties of 1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide?
1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide has a molecular weight of 529.49 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide is sourced from PubChem (CID 118796778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).