5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one

C19H22N4OS — CID 129070405

IUPAC5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc3ncc(SNC4CCCC4)n3c2)cn(C)c1=O
InChIInChI=1S/C19H22N4OS/c1-13-9-15(11-22(2)19(13)24)14-7-8-17-20-10-18(23(17)12-14)25-21-16-5-3-4-6-16/h7-12,16,21H,3-6H2,1-2H3
InChIKeyLXMJBDQCMRJCIO-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.55
Rot. Bonds4

About 5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one

5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one (PubChem CID 129070405) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
PubChem CID129070405
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc3ncc(SNC4CCCC4)n3c2)cn(C)c1=O
InChIInChI=1S/C19H22N4OS/c1-13-9-15(11-22(2)19(13)24)14-7-8-17-20-10-18(23(17)12-14)25-21-16-5-3-4-6-16/h7-12,16,21H,3-6H2,1-2H3
InChIKeyLXMJBDQCMRJCIO-UHFFFAOYSA-N
XLogP3.55
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one (CID 129070405) is 5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2ccc3ncc(SNC4CCCC4)n3c2)cn(C)c1=O.
What is the InChIKey of 5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is LXMJBDQCMRJCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-13-9-15(11-22(2)19(13)24)14-7-8-17-20-10-18(23(17)12-14)25-21-16-5-3-4-6-16/h7-12,16,21H,3-6H2,1-2H3.
What are the key properties of 5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 354.48 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 129070405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).