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

C21H12F5N5O — CID 118094861

IUPAC2-[4-(difluoromethoxy)anilino]-6-[2-(difluoromethyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile
SMILESN#Cc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)F)nc3ccc(F)cn23)c1
InChIInChI=1S/C21H12F5N5O/c22-12-1-6-17-30-18(20(23)24)19(31(17)10-12)15-7-11(9-27)8-16(29-15)28-13-2-4-14(5-3-13)32-21(25)26/h1-8,10,20-21H,(H,28,29)
InChIKeyCVEBTUQGYIZGSS-UHFFFAOYSA-N
MW445.35 g/mol
LogP5.69
Rot. Bonds6

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

2-[4-(difluoromethoxy)anilino]-6-[2-(difluoromethyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile (PubChem CID 118094861) has the molecular formula C21H12F5N5O and a molecular weight of 445.35 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-6-[2-(difluoromethyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-6-[2-(difluoromethyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile
PubChem CID118094861
Molecular FormulaC21H12F5N5O
Molecular Weight445.35 g/mol
Exact Mass445.10
IUPAC Name2-[4-(difluoromethoxy)anilino]-6-[2-(difluoromethyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile
SMILESN#Cc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)F)nc3ccc(F)cn23)c1
InChIInChI=1S/C21H12F5N5O/c22-12-1-6-17-30-18(20(23)24)19(31(17)10-12)15-7-11(9-27)8-16(29-15)28-13-2-4-14(5-3-13)32-21(25)26/h1-8,10,20-21H,(H,28,29)
InChIKeyCVEBTUQGYIZGSS-UHFFFAOYSA-N
XLogP5.69
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.35
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
2,4-Disubstituted Pyrimidine 2g
CID 5329420
Rwj-68354
CID 9819053
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine
CID 11647397
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
2-[(4-{[3-(Trifluoromethyl)pyridin-2-Yl]oxy}phenyl)amino]-1h-Benzimidazole-6-Carbonitrile
CID 59326984
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
2-[3-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 66788835
N-(4-methoxyphenyl)-1-methyl-1H-imidazo[4,5-c]pyridin-4-amine
CID 15266433
2-(3-Fluoro-4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine
CID 832352
Imidazopyridine 10d
CID 5329343

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-6-[2-(difluoromethyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-6-[2-(difluoromethyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile (CID 118094861) is 2-[4-(difluoromethoxy)anilino]-6-[2-(difluoromethyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-6-[2-(difluoromethyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-6-[2-(difluoromethyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile is N#Cc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)F)nc3ccc(F)cn23)c1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-6-[2-(difluoromethyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
The InChIKey is CVEBTUQGYIZGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F5N5O/c22-12-1-6-17-30-18(20(23)24)19(31(17)10-12)15-7-11(9-27)8-16(29-15)28-13-2-4-14(5-3-13)32-21(25)26/h1-8,10,20-21H,(H,28,29).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-6-[2-(difluoromethyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
2-[4-(difluoromethoxy)anilino]-6-[2-(difluoromethyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile has a molecular weight of 445.35 g/mol, XLogP of 5.69, 6 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-(difluoromethyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 118094861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).