3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one

C20H18N4O2 — CID 71622408

IUPAC3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one
SMILESO=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2ccccc2n1
InChIInChI=1S/C20H18N4O2/c25-20-16(17-13-24-8-2-1-3-19(24)22-17)11-14-4-5-15(12-18(14)26-20)23-9-6-21-7-10-23/h1-5,8,11-13,21H,6-7,9-10H2
InChIKeyABKUPOMNBCNVRC-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.52
Rot. Bonds2

About 3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one

3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one (PubChem CID 71622408) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one
PubChem CID71622408
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one
SMILESO=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2ccccc2n1
InChIInChI=1S/C20H18N4O2/c25-20-16(17-13-24-8-2-1-3-19(24)22-17)11-14-4-5-15(12-18(14)26-20)23-9-6-21-7-10-23/h1-5,8,11-13,21H,6-7,9-10H2
InChIKeyABKUPOMNBCNVRC-UHFFFAOYSA-N
XLogP2.52
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Coumarin 30
CID 100335
Coumarin 7
CID 94381
1H-Benzimidazolium, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-, chloride (1:1)
CID 169053
(S)-3-(6,8-Dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3-methylpiperazin-1-yl)-2H-chromen-2-one
CID 89655253
7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 89671036
3-(8-Methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
CID 767302
3-(7-Methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 830970
3-(imidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 397075
3-Imidazo[1,2-a]pyrimidin-2-yl-chromen-2-one
CID 654596
8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 767317
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide
CID 2877674
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]-7-methylimidazo[1,2-a]pyridin-3-amine
CID 7338037

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one?
The IUPAC name of 3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one (CID 71622408) is 3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one is O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2ccccc2n1.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one?
The InChIKey is ABKUPOMNBCNVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-20-16(17-13-24-8-2-1-3-19(24)22-17)11-14-4-5-15(12-18(14)26-20)23-9-6-21-7-10-23/h1-5,8,11-13,21H,6-7,9-10H2.
What are the key properties of 3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one?
3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one has a molecular weight of 346.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-2-yl-7-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 71622408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).