5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

C32H33F3N4O2 — CID 153119681

IUPAC5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESCC(C)c1cc(C(C)C)n(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)n1
InChIInChI=1S/C32H33F3N4O2/c1-18(2)29-16-30(19(3)4)39(38-29)17-25(40)13-22(10-20-11-23(33)15-24(34)12-20)31-26(6-5-9-37-31)21-7-8-28(35)27(14-21)32(36)41/h5-9,11-12,14-16,18-19,22H,10,13,17H2,1-4H3,(H2,36,41)/t22-/m1/s1
InChIKeyVUPGRQMREDOLEK-JOCHJYFZSA-N
MW562.64 g/mol
LogP6.69
Rot. Bonds11

About 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 153119681) has the molecular formula C32H33F3N4O2 and a molecular weight of 562.64 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
PubChem CID153119681
Molecular FormulaC32H33F3N4O2
Molecular Weight562.64 g/mol
Exact Mass562.26
IUPAC Name5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESCC(C)c1cc(C(C)C)n(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)n1
InChIInChI=1S/C32H33F3N4O2/c1-18(2)29-16-30(19(3)4)39(38-29)17-25(40)13-22(10-20-11-23(33)15-24(34)12-20)31-26(6-5-9-37-31)21-7-8-28(35)27(14-21)32(36)41/h5-9,11-12,14-16,18-19,22H,10,13,17H2,1-4H3,(H2,36,41)/t22-/m1/s1
InChIKeyVUPGRQMREDOLEK-JOCHJYFZSA-N
XLogP6.69
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.64
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

(+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355646
Csf1R-IN-1
CID 137333440
N-(4-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)benzamide
CID 52942123
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-(3-pyridinylmethylene)benzohydrazide
CID 6874623
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854
1-(4-Fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-4-carboxylic acid 3-trifluoromethyl-benzylamide
CID 45138012
6-(4-(4-(1H-pyrazol-1-yl)benzoyl)piperidine-1-carbonyl)-N-(1-(4-fluorobenzyl)piperidin-4-yl)nicotinamide
CID 66710817
N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 73051086
3-[4-[(4-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide
CID 118146814
3-[4-[(2-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide
CID 118146849
3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide
CID 118146984

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 153119681) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is CC(C)c1cc(C(C)C)n(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)n1.
What is the InChIKey of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is VUPGRQMREDOLEK-JOCHJYFZSA-N. The full InChI is InChI=1S/C32H33F3N4O2/c1-18(2)29-16-30(19(3)4)39(38-29)17-25(40)13-22(10-20-11-23(33)15-24(34)12-20)31-26(6-5-9-37-31)21-7-8-28(35)27(14-21)32(36)41/h5-9,11-12,14-16,18-19,22H,10,13,17H2,1-4H3,(H2,36,41)/t22-/m1/s1.
What are the key properties of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 562.64 g/mol, XLogP of 6.69, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,5-di(propan-2-yl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 153119681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).