5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide

C29H24F6N4O2 — CID 148632419

IUPAC5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESCCC(C(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C29H24F6N4O2/c1-2-25(39-15-19(14-38-39)29(33,34)35)26(40)12-18(8-16-9-20(30)13-21(31)10-16)27-22(4-3-7-37-27)17-5-6-24(32)23(11-17)28(36)41/h3-7,9-11,13-15,18,25H,2,8,12H2,1H3,(H2,36,41)/t18-,25?/m1/s1
InChIKeyNIKIFHDMNMQVKS-YDONVPIESA-N
MW574.53 g/mol
LogP6.42
Rot. Bonds10

About 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide

5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 148632419) has the molecular formula C29H24F6N4O2 and a molecular weight of 574.53 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide
PubChem CID148632419
Molecular FormulaC29H24F6N4O2
Molecular Weight574.53 g/mol
Exact Mass574.18
IUPAC Name5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESCCC(C(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C29H24F6N4O2/c1-2-25(39-15-19(14-38-39)29(33,34)35)26(40)12-18(8-16-9-20(30)13-21(31)10-16)27-22(4-3-7-37-27)17-5-6-24(32)23(11-17)28(36)41/h3-7,9-11,13-15,18,25H,2,8,12H2,1H3,(H2,36,41)/t18-,25?/m1/s1
InChIKeyNIKIFHDMNMQVKS-YDONVPIESA-N
XLogP6.42
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.53
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-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
2-[4-[3-(N-[2-[3,5-bis(trifluoromethyl)-2-pyridinyl]acetyl]-4-fluoroanilino)prop-1-ynyl]pyrazol-1-yl]propanamide
CID 168286360
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
1-(4-Fluorophenyl)-2-[4-(1-methyl-5-trifluoromethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 46901908
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 66720146
N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 73051086
1-(3-(aminomethyl)phenyl)-N-(5-((cyclopropylmethylamino)(pyridin-3-yl)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355774

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 148632419) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide is CCC(C(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)n1cc(C(F)(F)F)cn1.
What is the InChIKey of 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is NIKIFHDMNMQVKS-YDONVPIESA-N. The full InChI is InChI=1S/C29H24F6N4O2/c1-2-25(39-15-19(14-38-39)29(33,34)35)26(40)12-18(8-16-9-20(30)13-21(31)10-16)27-22(4-3-7-37-27)17-5-6-24(32)23(11-17)28(36)41/h3-7,9-11,13-15,18,25H,2,8,12H2,1H3,(H2,36,41)/t18-,25?/m1/s1.
What are the key properties of 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 574.53 g/mol, XLogP of 6.42, 10 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)-4-oxo-5-[4-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 148632419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).