2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile

C22H16F3N5O — CID 118095141

IUPAC2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile
SMILESCCc1nn2ccccc2c1-c1cc(C#N)cc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C22H16F3N5O/c1-2-16-21(18-5-3-4-8-30(18)29-16)17-9-13(12-26)10-20(28-17)27-14-6-7-19(15(23)11-14)31-22(24)25/h3-11,22H,2H2,1H3,(H,27,28)
InChIKeyYJSKLJREFLIFGW-UHFFFAOYSA-N
MW423.40 g/mol
LogP5.31
Rot. Bonds6

About 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile

2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile (PubChem CID 118095141) has the molecular formula C22H16F3N5O and a molecular weight of 423.40 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile
PubChem CID118095141
Molecular FormulaC22H16F3N5O
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC Name2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile
SMILESCCc1nn2ccccc2c1-c1cc(C#N)cc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C22H16F3N5O/c1-2-16-21(18-5-3-4-8-30(18)29-16)17-9-13(12-26)10-20(28-17)27-14-6-7-19(15(23)11-14)31-22(24)25/h3-11,22H,2H2,1H3,(H,27,28)
InChIKeyYJSKLJREFLIFGW-UHFFFAOYSA-N
XLogP5.31
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.40
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile
CID 133392141
6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 118094600
2-[4-(difluoromethoxy)anilino]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
CID 122578353
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
CID 118094982
N-(4-chlorophenyl)-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-(4-fluorophenyl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylphenyl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-phenylpyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine
CID 158012117
4-(difluoromethoxy)-3-fluoro-N-propylaniline
CID 60942479
2-(4-methoxyanilino)-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
CID 122578345
4-(difluoromethoxy)-N-[(1-ethylpyrrol-3-yl)methyl]-3-fluoroaniline
CID 66415167
4-N-(3-fluoro-4-methoxyphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80771186
4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143457
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine
CID 118095018
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile
CID 83072936

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile (CID 118095141) is 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile is CCc1nn2ccccc2c1-c1cc(C#N)cc(Nc2ccc(OC(F)F)c(F)c2)n1.
What is the InChIKey of 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile?
The InChIKey is YJSKLJREFLIFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O/c1-2-16-21(18-5-3-4-8-30(18)29-16)17-9-13(12-26)10-20(28-17)27-14-6-7-19(15(23)11-14)31-22(24)25/h3-11,22H,2H2,1H3,(H,27,28).
What are the key properties of 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile?
2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile has a molecular weight of 423.40 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 118095141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).