[2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone

C22H25N3O4S — CID 60587382

IUPAC[2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
SMILESCOc1ccc(C2CCCCCN2C(=O)c2nc(S(C)(=O)=O)n3ccccc23)cc1
InChIInChI=1S/C22H25N3O4S/c1-29-17-12-10-16(11-13-17)18-8-4-3-6-14-24(18)21(26)20-19-9-5-7-15-25(19)22(23-20)30(2,27)28/h5,7,9-13,15,18H,3-4,6,8,14H2,1-2H3
InChIKeyPSXQXHLDENQUTQ-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.50
Rot. Bonds4

About [2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone

[2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone (PubChem CID 60587382) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
PubChem CID60587382
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name[2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
SMILESCOc1ccc(C2CCCCCN2C(=O)c2nc(S(C)(=O)=O)n3ccccc23)cc1
InChIInChI=1S/C22H25N3O4S/c1-29-17-12-10-16(11-13-17)18-8-4-3-6-14-24(18)21(26)20-19-9-5-7-15-25(19)22(23-20)30(2,27)28/h5,7,9-13,15,18H,3-4,6,8,14H2,1-2H3
InChIKeyPSXQXHLDENQUTQ-UHFFFAOYSA-N
XLogP3.50
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone with MolForge

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Related Compounds

[(2S)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 96508515
[(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 96508516
tert-butyl N-[[(2R)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate
CID 52832198
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 119650736
[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone
CID 9361971
(3,6-dichloro-2-pyridinyl)-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31797521
furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 51267049
(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732467
methyl 5-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 34474795
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
(2,4-dimethoxyphenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 55440342
(2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 47803850

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone (CID 60587382) is [2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone is COc1ccc(C2CCCCCN2C(=O)c2nc(S(C)(=O)=O)n3ccccc23)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
The InChIKey is PSXQXHLDENQUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-29-17-12-10-16(11-13-17)18-8-4-3-6-14-24(18)21(26)20-19-9-5-7-15-25(19)22(23-20)30(2,27)28/h5,7,9-13,15,18H,3-4,6,8,14H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
[2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone has a molecular weight of 427.53 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone is sourced from PubChem (CID 60587382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).