3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide

C32H29F5N4O2 — CID 153062371

IUPAC3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide
SMILESCC1CCCc2c(C(F)(F)F)nn(CC(=O)C[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3cccc(C(N)=O)c3)c21
InChIInChI=1S/C32H29F5N4O2/c1-18-5-2-8-27-29(18)41(40-30(27)32(35,36)37)17-25(42)15-22(11-19-12-23(33)16-24(34)13-19)28-26(9-4-10-39-28)20-6-3-7-21(14-20)31(38)43/h3-4,6-7,9-10,12-14,16,18,22H,2,5,8,11,15,17H2,1H3,(H2,38,43)/t18?,22-/m1/s1
InChIKeyVJRUCSQBKOVHGI-LMNIDFBRSA-N
MW596.60 g/mol
LogP6.77
Rot. Bonds9

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

3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide (PubChem CID 153062371) has the molecular formula C32H29F5N4O2 and a molecular weight of 596.60 g/mol. Its IUPAC name is 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide
PubChem CID153062371
Molecular FormulaC32H29F5N4O2
Molecular Weight596.60 g/mol
Exact Mass596.22
IUPAC Name3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide
SMILESCC1CCCc2c(C(F)(F)F)nn(CC(=O)C[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3cccc(C(N)=O)c3)c21
InChIInChI=1S/C32H29F5N4O2/c1-18-5-2-8-27-29(18)41(40-30(27)32(35,36)37)17-25(42)15-22(11-19-12-23(33)16-24(34)13-19)28-26(9-4-10-39-28)20-6-3-7-21(14-20)31(38)43/h3-4,6-7,9-10,12-14,16,18,22H,2,5,8,11,15,17H2,1H3,(H2,38,43)/t18?,22-/m1/s1
InChIKeyVJRUCSQBKOVHGI-LMNIDFBRSA-N
XLogP6.77
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.60
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(4-Fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-4-carboxylic acid 3-trifluoromethyl-benzylamide
CID 45138012
1-(6-fluoropyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138868
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)indole-3-carboxamide
CID 66576610
N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 73051086
2-methyl-N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 118366018
N-[4-[5-[3-(methylamino)-3-oxopropyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 118366033
N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 122183740
(+)-5-(1-amino-1-(3-(1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamido)-4-fluorophenyl)-3-cyclopropylpropyl)picolinamide
CID 126665782
US10889564, Example 39
CID 129104758
US10889564, Example 44
CID 129104779
US10889564, Example 50
CID 129127275
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone
CID 140268009

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide (CID 153062371) is 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide is CC1CCCc2c(C(F)(F)F)nn(CC(=O)C[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3cccc(C(N)=O)c3)c21.
What is the InChIKey of 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide?
The InChIKey is VJRUCSQBKOVHGI-LMNIDFBRSA-N. The full InChI is InChI=1S/C32H29F5N4O2/c1-18-5-2-8-27-29(18)41(40-30(27)32(35,36)37)17-25(42)15-22(11-19-12-23(33)16-24(34)13-19)28-26(9-4-10-39-28)20-6-3-7-21(14-20)31(38)43/h3-4,6-7,9-10,12-14,16,18,22H,2,5,8,11,15,17H2,1H3,(H2,38,43)/t18?,22-/m1/s1.
What are the key properties of 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide?
3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide has a molecular weight of 596.60 g/mol, XLogP of 6.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 153062371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).