N-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C21H14ClF3N4O — CID 45485711

IUPACN-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cc3ccccn3n2)c1
InChIInChI=1S/C21H14ClF3N4O/c1-12-15(6-8-19(26-12)21(23,24)25)20(30)27-13-5-7-17(22)16(10-13)18-11-14-4-2-3-9-29(14)28-18/h2-11H,1H3,(H,27,30)
InChIKeyOFYSCZLGXWEMMT-UHFFFAOYSA-N
MW430.82 g/mol
LogP5.63
Rot. Bonds3

About N-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 45485711) has the molecular formula C21H14ClF3N4O and a molecular weight of 430.82 g/mol. Its IUPAC name is N-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID45485711
Molecular FormulaC21H14ClF3N4O
Molecular Weight430.82 g/mol
Exact Mass430.08
IUPAC NameN-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cc3ccccn3n2)c1
InChIInChI=1S/C21H14ClF3N4O/c1-12-15(6-8-19(26-12)21(23,24)25)20(30)27-13-5-7-17(22)16(10-13)18-11-14-4-2-3-9-29(14)28-18/h2-11H,1H3,(H,27,30)
InChIKeyOFYSCZLGXWEMMT-UHFFFAOYSA-N
XLogP5.63
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.82
LogP ≤ 55.63
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
N-(3,5-dichloropyridin-4-yl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 59227397
N-(3,5-dichloropyridin-4-yl)-7-methylsulfanyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 59227413
GPR52 receptor modulator 1
CID 156735500
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 16324174
N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
4-(4-Chlorophenyl)-14-methyl-3,4,8,13,14-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,8,10,12,15-hexaen-5-one
CID 14809221
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-chloropyridine-3-carboxamide
CID 10137808
N-[2-(2-chlorophenyl)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16024956
N-Pyridin-4-yl-4-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-benzamide
CID 17748340
N-(4-chloro-3-(pyridin-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 44626323
N-(4-chloro-3-(quinoxalin-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 45485750

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 45485711) is N-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cc3ccccn3n2)c1.
What is the InChIKey of N-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OFYSCZLGXWEMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O/c1-12-15(6-8-19(26-12)21(23,24)25)20(30)27-13-5-7-17(22)16(10-13)18-11-14-4-2-3-9-29(14)28-18/h2-11H,1H3,(H,27,30).
What are the key properties of N-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 430.82 g/mol, XLogP of 5.63, 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-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 45485711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).