1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one

C23H25FN2O2 — CID 91200924

IUPAC1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one
SMILESCCOC(C)C1CC1c1ccc2nc(-c3ccc(F)cc3)c(C(=O)CC)n2c1
InChIInChI=1S/C23H25FN2O2/c1-4-20(27)23-22(15-6-9-17(24)10-7-15)25-21-11-8-16(13-26(21)23)19-12-18(19)14(3)28-5-2/h6-11,13-14,18-19H,4-5,12H2,1-3H3
InChIKeyDATWNMAUHHXFRI-UHFFFAOYSA-N
MW380.46 g/mol
LogP5.26
Rot. Bonds7

About 1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one

1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one (PubChem CID 91200924) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one
PubChem CID91200924
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one
SMILESCCOC(C)C1CC1c1ccc2nc(-c3ccc(F)cc3)c(C(=O)CC)n2c1
InChIInChI=1S/C23H25FN2O2/c1-4-20(27)23-22(15-6-9-17(24)10-7-15)25-21-11-8-16(13-26(21)23)19-12-18(19)14(3)28-5-2/h6-11,13-14,18-19H,4-5,12H2,1-3H3
InChIKeyDATWNMAUHHXFRI-UHFFFAOYSA-N
XLogP5.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one with MolForge

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Related Compounds

(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 712408
Ethyl 2-(4-methylphenyl)-alpha-oxoimidazo(1,2-a)pyridine-3-acetate
CID 4962038
2-(4-Methylphenyl)imidazo(1,2-a)pyridine-3-carbaldehyde
CID 1096449
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
3-Formyl-2-phenylimidazo(1,2-a)pyridine
CID 820933
Aminoimidazo[1,2-a]pyridine deriv. 14
CID 5330614
Aminoimidazo[1,2-a]pyridine deriv. 25
CID 5330625
1-[2-(4-Methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone
CID 974031
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one?
The IUPAC name of 1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one (CID 91200924) is 1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one.
What is the SMILES notation for 1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one?
The canonical SMILES for 1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one is CCOC(C)C1CC1c1ccc2nc(-c3ccc(F)cc3)c(C(=O)CC)n2c1.
What is the InChIKey of 1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one?
The InChIKey is DATWNMAUHHXFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-4-20(27)23-22(15-6-9-17(24)10-7-15)25-21-11-8-16(13-26(21)23)19-12-18(19)14(3)28-5-2/h6-11,13-14,18-19H,4-5,12H2,1-3H3.
What are the key properties of 1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one?
1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one has a molecular weight of 380.46 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(1-ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one is sourced from PubChem (CID 91200924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).