1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide

C18H9ClF6N6O — CID 146279733

IUPAC1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)n3nccc23)c1C(F)(F)F
InChIInChI=1S/C18H9ClF6N6O/c19-14-2-1-11(12-4-6-27-30(12)14)31-15(18(23,24)25)10(8-28-31)16(32)29-9-3-5-26-13(7-9)17(20,21)22/h1-8H,(H,26,29,32)
InChIKeyJXYYTUWFUKEHJY-UHFFFAOYSA-N
MW474.75 g/mol
LogP4.86
Rot. Bonds3

About 1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide

1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide (PubChem CID 146279733) has the molecular formula C18H9ClF6N6O and a molecular weight of 474.75 g/mol. Its IUPAC name is 1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
PubChem CID146279733
Molecular FormulaC18H9ClF6N6O
Molecular Weight474.75 g/mol
Exact Mass474.04
IUPAC Name1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)n3nccc23)c1C(F)(F)F
InChIInChI=1S/C18H9ClF6N6O/c19-14-2-1-11(12-4-6-27-30(12)14)31-15(18(23,24)25)10(8-28-31)16(32)29-9-3-5-26-13(7-9)17(20,21)22/h1-8H,(H,26,29,32)
InChIKeyJXYYTUWFUKEHJY-UHFFFAOYSA-N
XLogP4.86
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.75
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-chloropyridine-3-carboxamide
CID 10137808
6-Chloro-N-(2-(1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamido)ethyl)nicotinamide
CID 46885190
US9586948, Example 29
CID 117873092
US9586948, Example 31
CID 117873210
5-Chloro-N-[2-({[1-phenyl-3-(trifluoromethyl)-1Hpyrazol-4-yl]carbonyl}amino)ethyl]pyridine-2-carboxamide
CID 46885189
N-(2-chloro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165368478
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide
CID 44589036
N-(4-chloro-3-(pyrazolo[1,5-a]pyridin-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 45485711
N-(2-chlorophenyl)-5-(1H-pyrrol-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882617
(6-Chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 57401861
2-chloro-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]nicotinamide
CID 1224527
N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 121231218

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide (CID 146279733) is 1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide is O=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)n3nccc23)c1C(F)(F)F.
What is the InChIKey of 1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is JXYYTUWFUKEHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF6N6O/c19-14-2-1-11(12-4-6-27-30(12)14)31-15(18(23,24)25)10(8-28-31)16(32)29-9-3-5-26-13(7-9)17(20,21)22/h1-8H,(H,26,29,32).
What are the key properties of 1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 474.75 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146279733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).