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

C21H13F4N5O — CID 118094830

IUPAC2-[4-(difluoromethoxy)-3-fluoroanilino]-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)c(F)c2)n1
InChIInChI=1S/C21H13F4N5O/c1-11-20(30-10-13(22)2-5-19(30)27-11)16-6-12(9-26)7-18(29-16)28-14-3-4-17(15(23)8-14)31-21(24)25/h2-8,10,21H,1H3,(H,28,29)
InChIKeyJRNPAKGDUKIHNQ-UHFFFAOYSA-N
MW427.36 g/mol
LogP5.20
Rot. Bonds5

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

2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile (PubChem CID 118094830) has the molecular formula C21H13F4N5O and a molecular weight of 427.36 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
PubChem CID118094830
Molecular FormulaC21H13F4N5O
Molecular Weight427.36 g/mol
Exact Mass427.11
IUPAC Name2-[4-(difluoromethoxy)-3-fluoroanilino]-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)c(F)c2)n1
InChIInChI=1S/C21H13F4N5O/c1-11-20(30-10-13(22)2-5-19(30)27-11)16-6-12(9-26)7-18(29-16)28-14-3-4-17(15(23)8-14)31-21(24)25/h2-8,10,21H,1H3,(H,28,29)
InChIKeyJRNPAKGDUKIHNQ-UHFFFAOYSA-N
XLogP5.20
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.36
LogP ≤ 55.20
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-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile (CID 118094830) is 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(difluoromethoxy)-3-fluoroanilino]-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)c(F)c2)n1.
What is the InChIKey of 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
The InChIKey is JRNPAKGDUKIHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N5O/c1-11-20(30-10-13(22)2-5-19(30)27-11)16-6-12(9-26)7-18(29-16)28-14-3-4-17(15(23)8-14)31-21(24)25/h2-8,10,21H,1H3,(H,28,29).
What are the key properties of 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile has a molecular weight of 427.36 g/mol, XLogP of 5.20, 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-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 118094830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).