azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone

C21H19F2N3O2 — CID 58522765

IUPACazepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(C(=O)N2CCCCCC2)cc1F)c1cnc2ccc(F)cn12
InChIInChI=1S/C21H19F2N3O2/c22-15-6-8-19-24-12-18(26(19)13-15)20(27)16-7-5-14(11-17(16)23)21(28)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10H2
InChIKeyXAEJHWJAQVOBKG-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.86
Rot. Bonds3

About azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone

azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone (PubChem CID 58522765) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone
PubChem CID58522765
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Nameazepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(C(=O)N2CCCCCC2)cc1F)c1cnc2ccc(F)cn12
InChIInChI=1S/C21H19F2N3O2/c22-15-6-8-19-24-12-18(26(19)13-15)20(27)16-7-5-14(11-17(16)23)21(28)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10H2
InChIKeyXAEJHWJAQVOBKG-UHFFFAOYSA-N
XLogP3.86
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrophenyl]methanone
CID 58522744
[4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorophenyl]-morpholin-4-ylmethanone
CID 58522767
N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-methylbenzamide
CID 90775221
azepan-1-yl-[4-[2-(6-ethylimidazo[1,2-a]pyridin-3-yl)oxiran-2-yl]-3-fluorophenyl]methanone
CID 147568073
N-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide
CID 67003513
[3-(3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 56848051
(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone
CID 39245269
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(3-fluoro-4-nitrophenyl)-piperidin-1-ylmethanone
CID 62681083

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone?
The IUPAC name of azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone (CID 58522765) is azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone.
What is the SMILES notation for azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone?
The canonical SMILES for azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone is O=C(c1ccc(C(=O)N2CCCCCC2)cc1F)c1cnc2ccc(F)cn12.
What is the InChIKey of azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone?
The InChIKey is XAEJHWJAQVOBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c22-15-6-8-19-24-12-18(26(19)13-15)20(27)16-7-5-14(11-17(16)23)21(28)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10H2.
What are the key properties of azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone?
azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone has a molecular weight of 383.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone is sourced from PubChem (CID 58522765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).