6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C21H18FN5O — CID 122510437

IUPAC6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(O)CCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#N)n2c1
InChIInChI=1S/C21H18FN5O/c1-14(28)8-9-26-13-25-20(15-2-5-17(22)6-3-15)21(26)16-4-7-19-24-11-18(10-23)27(19)12-16/h2-7,11-14,28H,8-9H2,1H3
InChIKeyIWTCADQVPWNVNN-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.65
Rot. Bonds5

About 6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 122510437) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID122510437
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(O)CCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#N)n2c1
InChIInChI=1S/C21H18FN5O/c1-14(28)8-9-26-13-25-20(15-2-5-17(22)6-3-15)21(26)16-4-7-19-24-11-18(10-23)27(19)12-16/h2-7,11-14,28H,8-9H2,1H3
InChIKeyIWTCADQVPWNVNN-UHFFFAOYSA-N
XLogP3.65
TPSA79.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1H-imidazol-2-yl)-3-butyn-1-ol
CID 3008319
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
Bms-986260
CID 122510453
3-(4-(4-Fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl)propan-1-ol
CID 132496692
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
Imidazopyridine 18b
CID 5329352
1-Cyclohexyl-2-(10-fluoro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol
CID 118917121
4-{7-[2-(Dimethylamino)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 10339487
4-[2-(2,4-Difluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 23727894
2-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}ethanol
CID 24746215
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
3-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}propan-1-ol
CID 24746381

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 122510437) is 6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is CC(O)CCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#N)n2c1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is IWTCADQVPWNVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-14(28)8-9-26-13-25-20(15-2-5-17(22)6-3-15)21(26)16-4-7-19-24-11-18(10-23)27(19)12-16/h2-7,11-14,28H,8-9H2,1H3.
What are the key properties of 6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 375.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-(3-hydroxybutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 122510437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).