6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C28H19F3N4O2 — CID 16659692

IUPAC6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cnn3cc(-c4ccccc4)ccc23)c1
InChIInChI=1S/C28H19F3N4O2/c29-28(30,31)21-9-5-11-23(15-21)33-26(36)19-8-4-10-22(14-19)34-27(37)24-16-32-35-17-20(12-13-25(24)35)18-6-2-1-3-7-18/h1-17H,(H,33,36)(H,34,37)
InChIKeyKMMKGQIVPUGQOW-UHFFFAOYSA-N
MW500.48 g/mol
LogP6.52
Rot. Bonds5

About 6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 16659692) has the molecular formula C28H19F3N4O2 and a molecular weight of 500.48 g/mol. Its IUPAC name is 6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID16659692
Molecular FormulaC28H19F3N4O2
Molecular Weight500.48 g/mol
Exact Mass500.15
IUPAC Name6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cnn3cc(-c4ccccc4)ccc23)c1
InChIInChI=1S/C28H19F3N4O2/c29-28(30,31)21-9-5-11-23(15-21)33-26(36)19-8-4-10-22(14-19)34-27(37)24-16-32-35-17-20(12-13-25(24)35)18-6-2-1-3-7-18/h1-17H,(H,33,36)(H,34,37)
InChIKeyKMMKGQIVPUGQOW-UHFFFAOYSA-N
XLogP6.52
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.48
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 167803256
6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2978702
3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
CID 151250225
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22081571
7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 24969569
3-isoquinolin-7-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11574683
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 16659692) is 6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cnn3cc(-c4ccccc4)ccc23)c1.
What is the InChIKey of 6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is KMMKGQIVPUGQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F3N4O2/c29-28(30,31)21-9-5-11-23(15-21)33-26(36)19-8-4-10-22(14-19)34-27(37)24-16-32-35-17-20(12-13-25(24)35)18-6-2-1-3-7-18/h1-17H,(H,33,36)(H,34,37).
What are the key properties of 6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 500.48 g/mol, XLogP of 6.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 16659692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).