2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile

C21H12F5N5O — CID 118101509

IUPAC2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
SMILESCc1nc2c(F)cc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C21H12F5N5O/c1-10-19(31-9-12(22)6-15(24)20(31)28-10)16-4-11(8-27)5-18(30-16)29-13-2-3-17(14(23)7-13)32-21(25)26/h2-7,9,21H,1H3,(H,29,30)
InChIKeyLFVOBAJXJNXXEI-UHFFFAOYSA-N
MW445.35 g/mol
LogP5.34
Rot. Bonds5

About 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile

2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile (PubChem CID 118101509) has the molecular formula C21H12F5N5O and a molecular weight of 445.35 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
PubChem CID118101509
Molecular FormulaC21H12F5N5O
Molecular Weight445.35 g/mol
Exact Mass445.10
IUPAC Name2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
SMILESCc1nc2c(F)cc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C21H12F5N5O/c1-10-19(31-9-12(22)6-15(24)20(31)28-10)16-4-11(8-27)5-18(30-16)29-13-2-3-17(14(23)7-13)32-21(25)26/h2-7,9,21H,1H3,(H,29,30)
InChIKeyLFVOBAJXJNXXEI-UHFFFAOYSA-N
XLogP5.34
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.35
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile (CID 118101509) is 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile is Cc1nc2c(F)cc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)F)c(F)c2)n1.
What is the InChIKey of 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
The InChIKey is LFVOBAJXJNXXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F5N5O/c1-10-19(31-9-12(22)6-15(24)20(31)28-10)16-4-11(8-27)5-18(30-16)29-13-2-3-17(14(23)7-13)32-21(25)26/h2-7,9,21H,1H3,(H,29,30).
What are the key properties of 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile has a molecular weight of 445.35 g/mol, XLogP of 5.34, 5 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-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 118101509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).