azepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone

C24H26FN3O2 — CID 147568073

IUPACazepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone
SMILESCCc1ccc2ncc(C3(c4ccc(C(=O)N5CCCCCC5)cc4F)CO3)n2c1
InChIInChI=1S/C24H26FN3O2/c1-2-17-7-10-22-26-14-21(28(22)15-17)24(16-30-24)19-9-8-18(13-20(19)25)23(29)27-11-5-3-4-6-12-27/h7-10,13-15H,2-6,11-12,16H2,1H3
InChIKeyFTYUWEHHFIJTDT-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.33
Rot. Bonds4

About azepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone

azepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone (PubChem CID 147568073) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is azepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone
PubChem CID147568073
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Nameazepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone
SMILESCCc1ccc2ncc(C3(c4ccc(C(=O)N5CCCCCC5)cc4F)CO3)n2c1
InChIInChI=1S/C24H26FN3O2/c1-2-17-7-10-22-26-14-21(28(22)15-17)24(16-30-24)19-9-8-18(13-20(19)25)23(29)27-11-5-3-4-6-12-27/h7-10,13-15H,2-6,11-12,16H2,1H3
InChIKeyFTYUWEHHFIJTDT-UHFFFAOYSA-N
XLogP4.33
TPSA50.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone
CID 58522765
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
[4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorophenyl]-morpholin-4-ylmethanone
CID 58522767
[3-(3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 56848051
azepan-1-yl-[4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrophenyl]methanone
CID 58522744
[3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone
CID 44626400
cyclopropyl-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806481
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
cyclopentyl-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807508
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
CID 62172577
[6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1447856

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone?
The IUPAC name of azepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone (CID 147568073) is azepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone.
What is the SMILES notation for azepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone?
The canonical SMILES for azepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone is CCc1ccc2ncc(C3(c4ccc(C(=O)N5CCCCCC5)cc4F)CO3)n2c1.
What is the InChIKey of azepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone?
The InChIKey is FTYUWEHHFIJTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-2-17-7-10-22-26-14-21(28(22)15-17)24(16-30-24)19-9-8-18(13-20(19)25)23(29)27-11-5-3-4-6-12-27/h7-10,13-15H,2-6,11-12,16H2,1H3.
What are the key properties of azepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone?
azepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone has a molecular weight of 407.49 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone is sourced from PubChem (CID 147568073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).