6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine

C21H17F3N4 — CID 145148974

IUPAC6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine
SMILESCc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CC(F)(F)C3)cn12
InChIInChI=1S/C21H17F3N4/c1-13-10-25-18-7-4-15(11-27(13)18)20-19(14-2-5-16(22)6-3-14)26-12-28(20)17-8-21(23,24)9-17/h2-7,10-12,17H,8-9H2,1H3
InChIKeyGQIHFPWVAXOAFR-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.28
Rot. Bonds3

About 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine

6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine (PubChem CID 145148974) has the molecular formula C21H17F3N4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine
PubChem CID145148974
Molecular FormulaC21H17F3N4
Molecular Weight382.39 g/mol
Exact Mass382.14
IUPAC Name6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine
SMILESCc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CC(F)(F)C3)cn12
InChIInChI=1S/C21H17F3N4/c1-13-10-25-18-7-4-15(11-27(13)18)20-19(14-2-5-16(22)6-3-14)26-12-28(20)17-8-21(23,24)9-17/h2-7,10-12,17H,8-9H2,1H3
InChIKeyGQIHFPWVAXOAFR-UHFFFAOYSA-N
XLogP5.28
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylimidazo[1,2-a]pyridine
CID 145148982
6-[3-(3,3-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbaldehyde;methanamine
CID 145149134
6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
CID 23433733
6-(4-fluorophenyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 137372632
6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 140737362
6-[3-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine
CID 145149047
ethane;6-(4-fluorophenyl)-3-methylimidazo[1,2-a]pyrazine
CID 143706949
5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine
CID 175789538
5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine
CID 162676290
1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol
CID 140737298
2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol
CID 122523296
6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 145149133

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine?
The IUPAC name of 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine (CID 145148974) is 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine is Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CC(F)(F)C3)cn12.
What is the InChIKey of 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine?
The InChIKey is GQIHFPWVAXOAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4/c1-13-10-25-18-7-4-15(11-27(13)18)20-19(14-2-5-16(22)6-3-14)26-12-28(20)17-8-21(23,24)9-17/h2-7,10-12,17H,8-9H2,1H3.
What are the key properties of 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine?
6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine has a molecular weight of 382.39 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 145148974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).