N-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C21H14ClF3N4O — CID 45485712

IUPACN-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-n2cc3ccccc3n2)c1
InChIInChI=1S/C21H14ClF3N4O/c1-12-15(7-9-19(26-12)21(23,24)25)20(30)27-14-6-8-16(22)18(10-14)29-11-13-4-2-3-5-17(13)28-29/h2-11H,1H3,(H,27,30)
InChIKeyRZZXUMDRABBGCT-UHFFFAOYSA-N
MW430.82 g/mol
LogP5.65
Rot. Bonds3

About N-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 45485712) has the molecular formula C21H14ClF3N4O and a molecular weight of 430.82 g/mol. Its IUPAC name is N-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID45485712
Molecular FormulaC21H14ClF3N4O
Molecular Weight430.82 g/mol
Exact Mass430.08
IUPAC NameN-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-n2cc3ccccc3n2)c1
InChIInChI=1S/C21H14ClF3N4O/c1-12-15(7-9-19(26-12)21(23,24)25)20(30)27-14-6-8-16(22)18(10-14)29-11-13-4-2-3-5-17(13)28-29/h2-11H,1H3,(H,27,30)
InChIKeyRZZXUMDRABBGCT-UHFFFAOYSA-N
XLogP5.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.82
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 46175112
2-(2-Chlorophenyl)-2H-indazole-7-carboxamide
CID 44549373
2-(4-Chlorophenyl)-2H-indazole-7-carboxamide
CID 44549375
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide
CID 56659488
5-chloro-N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 56659489
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-methylpyridine-3-carboxamide
CID 56669838
(1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(1-methyl-1H-indol-5-yl)methanone
CID 44426955
2-(4-(pyridin-4-ylcarbamoyl)phenyl)-2H-indazole-7-carboxamide
CID 46226284
5-chloro-2-(4-((methylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226380
N-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882570
N-(2-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882615
N-(2-chlorophenyl)-5-(dimethylamino)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882616

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 45485712) is N-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-n2cc3ccccc3n2)c1.
What is the InChIKey of N-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is RZZXUMDRABBGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O/c1-12-15(7-9-19(26-12)21(23,24)25)20(30)27-14-6-8-16(22)18(10-14)29-11-13-4-2-3-5-17(13)28-29/h2-11H,1H3,(H,27,30).
What are the key properties of N-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 430.82 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-indazol-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 45485712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).