2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile

C21H14F3N5O — CID 118094833

IUPAC2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
SMILESCc1nc2ccc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C21H14F3N5O/c1-12-20(29-11-14(22)2-7-19(29)26-12)17-8-13(10-25)9-18(28-17)27-15-3-5-16(6-4-15)30-21(23)24/h2-9,11,21H,1H3,(H,27,28)
InChIKeyFLMGRKRRQSSVCR-UHFFFAOYSA-N
MW409.37 g/mol
LogP5.06
Rot. Bonds5

About 2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile

2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile (PubChem CID 118094833) has the molecular formula C21H14F3N5O and a molecular weight of 409.37 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
PubChem CID118094833
Molecular FormulaC21H14F3N5O
Molecular Weight409.37 g/mol
Exact Mass409.12
IUPAC Name2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
SMILESCc1nc2ccc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C21H14F3N5O/c1-12-20(29-11-14(22)2-7-19(29)26-12)17-8-13(10-25)9-18(28-17)27-15-3-5-16(6-4-15)30-21(23)24/h2-9,11,21H,1H3,(H,27,28)
InChIKeyFLMGRKRRQSSVCR-UHFFFAOYSA-N
XLogP5.06
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile (CID 118094833) is 2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile is Cc1nc2ccc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
The InChIKey is FLMGRKRRQSSVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O/c1-12-20(29-11-14(22)2-7-19(29)26-12)17-8-13(10-25)9-18(28-17)27-15-3-5-16(6-4-15)30-21(23)24/h2-9,11,21H,1H3,(H,27,28).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile has a molecular weight of 409.37 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 118094833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).