7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one

C24H25N5O3 — CID 170703462

IUPAC7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
SMILESCC(=O)N1CCN(c2ccc3cc(-c4cn5cc(C)nc(C)c5n4)c(=O)oc3c2)C[C@@H]1C
InChIInChI=1S/C24H25N5O3/c1-14-11-28-13-21(26-23(28)16(3)25-14)20-9-18-5-6-19(10-22(18)32-24(20)31)27-7-8-29(17(4)30)15(2)12-27/h5-6,9-11,13,15H,7-8,12H2,1-4H3/t15-/m0/s1
InChIKeyMTLDODZALXDPEM-HNNXBMFYSA-N
MW431.50 g/mol
LogP3.18
Rot. Bonds2

About 7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one

7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one (PubChem CID 170703462) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
PubChem CID170703462
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
SMILESCC(=O)N1CCN(c2ccc3cc(-c4cn5cc(C)nc(C)c5n4)c(=O)oc3c2)C[C@@H]1C
InChIInChI=1S/C24H25N5O3/c1-14-11-28-13-21(26-23(28)16(3)25-14)20-9-18-5-6-19(10-22(18)32-24(20)31)27-7-8-29(17(4)30)15(2)12-27/h5-6,9-11,13,15H,7-8,12H2,1-4H3/t15-/m0/s1
InChIKeyMTLDODZALXDPEM-HNNXBMFYSA-N
XLogP3.18
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Coumarin 30
CID 100335
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
2-methyl-6-(1-methylbenzimidazol-5-yl)oxy-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 57401800
3-(imidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 397075
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
(4-Methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone
CID 46948375
3-(Imidazo[1,2-a]pyridin-2-yl)-7-(piperazin-1-yl)-2H-chromen-2-one
CID 71622408

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one?
The IUPAC name of 7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one (CID 170703462) is 7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one.
What is the SMILES notation for 7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one?
The canonical SMILES for 7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one is CC(=O)N1CCN(c2ccc3cc(-c4cn5cc(C)nc(C)c5n4)c(=O)oc3c2)C[C@@H]1C.
What is the InChIKey of 7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one?
The InChIKey is MTLDODZALXDPEM-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-14-11-28-13-21(26-23(28)16(3)25-14)20-9-18-5-6-19(10-22(18)32-24(20)31)27-7-8-29(17(4)30)15(2)12-27/h5-6,9-11,13,15H,7-8,12H2,1-4H3/t15-/m0/s1.
What are the key properties of 7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one?
7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one has a molecular weight of 431.50 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one is sourced from PubChem (CID 170703462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).