5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

C32H31F3N4O3 — CID 158662296

IUPAC5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESCCOc1nn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)c2c1CCCC2
InChIInChI=1S/C32H31F3N4O3/c1-2-42-32-26-6-3-4-8-29(26)39(38-32)18-24(40)15-21(12-19-13-22(33)17-23(34)14-19)30-25(7-5-11-37-30)20-9-10-28(35)27(16-20)31(36)41/h5,7,9-11,13-14,16-17,21H,2-4,6,8,12,15,18H2,1H3,(H2,36,41)/t21-/m1/s1
InChIKeyVXVLKUNBJLOYMJ-OAQYLSRUSA-N
MW576.62 g/mol
LogP5.72
Rot. Bonds11

About 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 158662296) has the molecular formula C32H31F3N4O3 and a molecular weight of 576.62 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
PubChem CID158662296
Molecular FormulaC32H31F3N4O3
Molecular Weight576.62 g/mol
Exact Mass576.23
IUPAC Name5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESCCOc1nn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)c2c1CCCC2
InChIInChI=1S/C32H31F3N4O3/c1-2-42-32-26-6-3-4-8-29(26)39(38-32)18-24(40)15-21(12-19-13-22(33)17-23(34)14-19)30-25(7-5-11-37-30)20-9-10-28(35)27(16-20)31(36)41/h5,7,9-11,13-14,16-17,21H,2-4,6,8,12,15,18H2,1H3,(H2,36,41)/t21-/m1/s1
InChIKeyVXVLKUNBJLOYMJ-OAQYLSRUSA-N
XLogP5.72
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.62
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide with MolForge

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Related Compounds

6-(4-(2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy)phenyl) picolinamide
CID 117616822
US20230270751, Example 79
CID 167529134
US11479551, Example 4-112
CID 166175976
US20250051309, Example 4.8
CID 175681231
N-[2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)benzamide
CID 177049812
N-[2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-5-(trifluoromethyl)benzamide
CID 177051182
N-[2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methyl-5-(trifluoromethyl)benzamide
CID 177051766
3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrazole-5-carboxamide
CID 21992422
N-[3-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 23649443
(2R)-2-benzyl-7-[1-(3,4-difluorophenyl)-3-pyridin-3-ylpyrazol-5-yl]oxy-4-oxoheptanamide
CID 57590988
2-(2,6-Difluorophenyl)-1-[1-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone
CID 58083577
6-(2-ethoxyphenyl)-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233718

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 158662296) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is CCOc1nn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)c2c1CCCC2.
What is the InChIKey of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is VXVLKUNBJLOYMJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C32H31F3N4O3/c1-2-42-32-26-6-3-4-8-29(26)39(38-32)18-24(40)15-21(12-19-13-22(33)17-23(34)14-19)30-25(7-5-11-37-30)20-9-10-28(35)27(16-20)31(36)41/h5,7,9-11,13-14,16-17,21H,2-4,6,8,12,15,18H2,1H3,(H2,36,41)/t21-/m1/s1.
What are the key properties of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 576.62 g/mol, XLogP of 5.72, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-ethoxy-4,5,6,7-tetrahydroindazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 158662296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).