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

C22H17F2N5O2 — CID 118095091

IUPAC2-[4-(difluoromethoxy)anilino]-6-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
SMILESCOc1ccc2nc(C)c(-c3cc(C#N)cc(Nc4ccc(OC(F)F)cc4)n3)n2c1
InChIInChI=1S/C22H17F2N5O2/c1-13-21(29-12-17(30-2)7-8-20(29)26-13)18-9-14(11-25)10-19(28-18)27-15-3-5-16(6-4-15)31-22(23)24/h3-10,12,22H,1-2H3,(H,27,28)
InChIKeyOIHWTVZDYZPBTQ-UHFFFAOYSA-N
MW421.41 g/mol
LogP4.93
Rot. Bonds6

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

2-[4-(difluoromethoxy)anilino]-6-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile (PubChem CID 118095091) has the molecular formula C22H17F2N5O2 and a molecular weight of 421.41 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-6-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-6-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
PubChem CID118095091
Molecular FormulaC22H17F2N5O2
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC Name2-[4-(difluoromethoxy)anilino]-6-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
SMILESCOc1ccc2nc(C)c(-c3cc(C#N)cc(Nc4ccc(OC(F)F)cc4)n3)n2c1
InChIInChI=1S/C22H17F2N5O2/c1-13-21(29-12-17(30-2)7-8-20(29)26-13)18-9-14(11-25)10-19(28-18)27-15-3-5-16(6-4-15)31-22(23)24/h3-10,12,22H,1-2H3,(H,27,28)
InChIKeyOIHWTVZDYZPBTQ-UHFFFAOYSA-N
XLogP4.93
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

Sch 28080
CID 108137
Gdc-0425
CID 58266779
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
6-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-7-[2-(4,4-difluorocyclohexyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023791
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Disubstituted Pyrimidine 2g
CID 5329420
Imidazopyridine-urea,42
CID 10117977
4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335801
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
4-[2-Methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336101
8-((4-Fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline
CID 25094493

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-6-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-6-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile (CID 118095091) is 2-[4-(difluoromethoxy)anilino]-6-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-6-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-6-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile is COc1ccc2nc(C)c(-c3cc(C#N)cc(Nc4ccc(OC(F)F)cc4)n3)n2c1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-6-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
The InChIKey is OIHWTVZDYZPBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O2/c1-13-21(29-12-17(30-2)7-8-20(29)26-13)18-9-14(11-25)10-19(28-18)27-15-3-5-16(6-4-15)31-22(23)24/h3-10,12,22H,1-2H3,(H,27,28).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-6-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile?
2-[4-(difluoromethoxy)anilino]-6-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile has a molecular weight of 421.41 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-6-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 118095091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).