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

C21H15F2N5O — CID 122578353

IUPAC2-[4-(difluoromethoxy)anilino]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
SMILESCc1nc2ccccn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C21H15F2N5O/c1-13-20(28-9-3-2-4-19(28)25-13)17-10-14(12-24)11-18(27-17)26-15-5-7-16(8-6-15)29-21(22)23/h2-11,21H,1H3,(H,26,27)
InChIKeyJEKXSHGIOOPNDR-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.92
Rot. Bonds5

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

2-[4-(difluoromethoxy)anilino]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile (PubChem CID 122578353) has the molecular formula C21H15F2N5O and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
PubChem CID122578353
Molecular FormulaC21H15F2N5O
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name2-[4-(difluoromethoxy)anilino]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
SMILESCc1nc2ccccn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C21H15F2N5O/c1-13-20(28-9-3-2-4-19(28)25-13)17-10-14(12-24)11-18(27-17)26-15-5-7-16(8-6-15)29-21(22)23/h2-11,21H,1H3,(H,26,27)
InChIKeyJEKXSHGIOOPNDR-UHFFFAOYSA-N
XLogP4.92
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.92
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-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile (CID 122578353) is 2-[4-(difluoromethoxy)anilino]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile is Cc1nc2ccccn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
The InChIKey is JEKXSHGIOOPNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O/c1-13-20(28-9-3-2-4-19(28)25-13)17-10-14(12-24)11-18(27-17)26-15-5-7-16(8-6-15)29-21(22)23/h2-11,21H,1H3,(H,26,27).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
2-[4-(difluoromethoxy)anilino]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile has a molecular weight of 391.38 g/mol, XLogP of 4.92, 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-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 122578353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).