7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one

C23H24N4O2 — CID 71621549

IUPAC7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
SMILESCc1cccn2cc(-c3cc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4oc3=O)nc12
InChIInChI=1S/C23H24N4O2/c1-14-5-4-8-26-13-20(25-22(14)26)19-9-17-6-7-18(10-21(17)29-23(19)28)27-11-15(2)24-16(3)12-27/h4-10,13,15-16,24H,11-12H2,1-3H3/t15-,16+
InChIKeyXXCGYSAFCHWWSI-IYBDPMFKSA-N
MW388.47 g/mol
LogP3.60
Rot. Bonds2

About 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one

7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one (PubChem CID 71621549) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
PubChem CID71621549
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
SMILESCc1cccn2cc(-c3cc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4oc3=O)nc12
InChIInChI=1S/C23H24N4O2/c1-14-5-4-8-26-13-20(25-22(14)26)19-9-17-6-7-18(10-21(17)29-23(19)28)27-11-15(2)24-16(3)12-27/h4-10,13,15-16,24H,11-12H2,1-3H3/t15-,16+
InChIKeyXXCGYSAFCHWWSI-IYBDPMFKSA-N
XLogP3.60
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The IUPAC name of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one (CID 71621549) is 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one.
What is the SMILES notation for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The canonical SMILES for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one is Cc1cccn2cc(-c3cc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4oc3=O)nc12.
What is the InChIKey of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The InChIKey is XXCGYSAFCHWWSI-IYBDPMFKSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14-5-4-8-26-13-20(25-22(14)26)19-9-17-6-7-18(10-21(17)29-23(19)28)27-11-15(2)24-16(3)12-27/h4-10,13,15-16,24H,11-12H2,1-3H3/t15-,16+.
What are the key properties of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one has a molecular weight of 388.47 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one is sourced from PubChem (CID 71621549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).