[4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone

C21H20FN3O2 — CID 46846868

IUPAC[4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
SMILESO=C(c1ccc(C(=O)N2CCCCCC2)cc1)c1cnc2ccc(F)cn12
InChIInChI=1S/C21H20FN3O2/c22-17-9-10-19-23-13-18(25(19)14-17)20(26)15-5-7-16(8-6-15)21(27)24-11-3-1-2-4-12-24/h5-10,13-14H,1-4,11-12H2
InChIKeyYBPAWHNMCWLDIZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.72
Rot. Bonds3

About [4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone

[4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 46846868) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID46846868
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
SMILESO=C(c1ccc(C(=O)N2CCCCCC2)cc1)c1cnc2ccc(F)cn12
InChIInChI=1S/C21H20FN3O2/c22-17-9-10-19-23-13-18(25(19)14-17)20(26)15-5-7-16(8-6-15)21(27)24-11-3-1-2-4-12-24/h5-10,13-14H,1-4,11-12H2
InChIKeyYBPAWHNMCWLDIZ-UHFFFAOYSA-N
XLogP3.72
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of [4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone (CID 46846868) is [4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for [4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for [4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone is O=C(c1ccc(C(=O)N2CCCCCC2)cc1)c1cnc2ccc(F)cn12.
What is the InChIKey of [4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is YBPAWHNMCWLDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-17-9-10-19-23-13-18(25(19)14-17)20(26)15-5-7-16(8-6-15)21(27)24-11-3-1-2-4-12-24/h5-10,13-14H,1-4,11-12H2.
What are the key properties of [4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
[4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 365.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 46846868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).