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

C29H22F6N4O2 — CID 148551581

IUPAC5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESC=Cc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)nc1C(F)(F)F
InChIInChI=1S/C29H22F6N4O2/c1-2-17-14-39(38-27(17)29(33,34)35)15-22(40)11-19(8-16-9-20(30)13-21(31)10-16)26-23(4-3-7-37-26)18-5-6-25(32)24(12-18)28(36)41/h2-7,9-10,12-14,19H,1,8,11,15H2,(H2,36,41)/t19-/m1/s1
InChIKeyMTGINKSXMTUCLV-LJQANCHMSA-N
MW572.51 g/mol
LogP6.11
Rot. Bonds10

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

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 148551581) has the molecular formula C29H22F6N4O2 and a molecular weight of 572.51 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
PubChem CID148551581
Molecular FormulaC29H22F6N4O2
Molecular Weight572.51 g/mol
Exact Mass572.16
IUPAC Name5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESC=Cc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)nc1C(F)(F)F
InChIInChI=1S/C29H22F6N4O2/c1-2-17-14-39(38-27(17)29(33,34)35)15-22(40)11-19(8-16-9-20(30)13-21(31)10-16)26-23(4-3-7-37-26)18-5-6-25(32)24(12-18)28(36)41/h2-7,9-10,12-14,19H,1,8,11,15H2,(H2,36,41)/t19-/m1/s1
InChIKeyMTGINKSXMTUCLV-LJQANCHMSA-N
XLogP6.11
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.51
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Safimaltib
CID 134609793
1-(2,4-difluorophenyl)-4-{[3-(pyridin-4-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 9864447
1-(2,4-difluorophenyl)-4-{[3-(pyridin-3-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 11689340
(+)-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
N-Pyridin-4-yl-4-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-benzamide
CID 17748340
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-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 66720146

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 148551581) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-ethenyl-3-(trifluoromethyl)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-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is C=Cc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)nc1C(F)(F)F.
What is the InChIKey of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is MTGINKSXMTUCLV-LJQANCHMSA-N. The full InChI is InChI=1S/C29H22F6N4O2/c1-2-17-14-39(38-27(17)29(33,34)35)15-22(40)11-19(8-16-9-20(30)13-21(31)10-16)26-23(4-3-7-37-26)18-5-6-25(32)24(12-18)28(36)41/h2-7,9-10,12-14,19H,1,8,11,15H2,(H2,36,41)/t19-/m1/s1.
What are the key properties of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 572.51 g/mol, XLogP of 6.11, 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)-5-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 148551581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).