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

C21H12F5N5O — CID 118095078

IUPAC2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile
SMILESN#Cc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1
InChIInChI=1S/C21H12F5N5O/c22-20(23)32-14-6-4-13(5-7-14)28-16-10-12(11-27)9-15(29-16)18-19(21(24,25)26)30-17-3-1-2-8-31(17)18/h1-10,20H,(H,28,29)
InChIKeyRRUZXFWOLMJZJE-UHFFFAOYSA-N
MW445.35 g/mol
LogP5.63
Rot. Bonds5

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

2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile (PubChem CID 118095078) has the molecular formula C21H12F5N5O and a molecular weight of 445.35 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile
PubChem CID118095078
Molecular FormulaC21H12F5N5O
Molecular Weight445.35 g/mol
Exact Mass445.10
IUPAC Name2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile
SMILESN#Cc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1
InChIInChI=1S/C21H12F5N5O/c22-20(23)32-14-6-4-13(5-7-14)28-16-10-12(11-27)9-15(29-16)18-19(21(24,25)26)30-17-3-1-2-8-31(17)18/h1-10,20H,(H,28,29)
InChIKeyRRUZXFWOLMJZJE-UHFFFAOYSA-N
XLogP5.63
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 ≤ 55.63
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-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile (CID 118095078) is 2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile is N#Cc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
The InChIKey is RRUZXFWOLMJZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F5N5O/c22-20(23)32-14-6-4-13(5-7-14)28-16-10-12(11-27)9-15(29-16)18-19(21(24,25)26)30-17-3-1-2-8-31(17)18/h1-10,20H,(H,28,29).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile has a molecular weight of 445.35 g/mol, XLogP of 5.63, 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-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 118095078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).