5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide

C25H22ClF3N4O — CID 175245020

IUPAC5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide
SMILESCC(C)CC(c1ccc(C(N)=O)nc1)n1cc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc2n1
InChIInChI=1S/C25H22ClF3N4O/c1-14(2)9-23(16-4-8-22(24(30)34)31-12-16)33-13-17-10-15(3-7-21(17)32-33)19-6-5-18(11-20(19)26)25(27,28)29/h3-8,10-14,23H,9H2,1-2H3,(H2,30,34)
InChIKeyASOWLNUGHYFDFL-UHFFFAOYSA-N
MW486.93 g/mol
LogP6.50
Rot. Bonds6

About 5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide

5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide (PubChem CID 175245020) has the molecular formula C25H22ClF3N4O and a molecular weight of 486.93 g/mol. Its IUPAC name is 5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide
PubChem CID175245020
Molecular FormulaC25H22ClF3N4O
Molecular Weight486.93 g/mol
Exact Mass486.14
IUPAC Name5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide
SMILESCC(C)CC(c1ccc(C(N)=O)nc1)n1cc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc2n1
InChIInChI=1S/C25H22ClF3N4O/c1-14(2)9-23(16-4-8-22(24(30)34)31-12-16)33-13-17-10-15(3-7-21(17)32-33)19-6-5-18(11-20(19)26)25(27,28)29/h3-8,10-14,23H,9H2,1-2H3,(H2,30,34)
InChIKeyASOWLNUGHYFDFL-UHFFFAOYSA-N
XLogP6.50
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.93
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5H-1-benzazepin-5-ylidene acetamide, 10h
CID 44520878
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide
CID 56659488
4-(3-chloro-4-fluorophenyl)-2-fluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 117978890
US10889564, Example 36
CID 129104750
3-[[4-[(1S)-1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-1-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
CID 134304145
3-[[4-[1-[5-[2-Chloro-4-(trifluoromethyl)phenyl]indazol-1-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
CID 134304147
3-[[4-[1-[5-[2-Chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
CID 134304151
3-[[5-[3-Methyl-1-[6-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]indazol-1-yl]butyl]pyridine-2-carbonyl]amino]propanoic acid
CID 134304192
3-[[5-[1-[5-[2-Chloro-4-(trifluoromethyl)phenyl]indazol-1-yl]-3-methylbutyl]pyridine-2-carbonyl]amino]propanoic acid
CID 134304194
(1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(1-isopropyl-1H-indol-5-yl)methanone
CID 44426959
4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 91668195
5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-[4-[5-methyl-4-(4,4,4-trifluorobutanoyl)pyrazol-1-yl]phenyl]indole-3-carboxamide
CID 118711194

Frequently Asked Questions

What is the IUPAC name of 5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide?
The IUPAC name of 5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide (CID 175245020) is 5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide is CC(C)CC(c1ccc(C(N)=O)nc1)n1cc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc2n1.
What is the InChIKey of 5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide?
The InChIKey is ASOWLNUGHYFDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF3N4O/c1-14(2)9-23(16-4-8-22(24(30)34)31-12-16)33-13-17-10-15(3-7-21(17)32-33)19-6-5-18(11-20(19)26)25(27,28)29/h3-8,10-14,23H,9H2,1-2H3,(H2,30,34).
What are the key properties of 5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide?
5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide has a molecular weight of 486.93 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide is sourced from PubChem (CID 175245020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).