3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one

C22H23N5O2 — CID 123277049

IUPAC3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one
SMILESCc1cn2cc(-c3cc4ccc(N(C)C5CCNC5)cc4oc3=O)nc2c(C)n1
InChIInChI=1S/C22H23N5O2/c1-13-11-27-12-19(25-21(27)14(2)24-13)18-8-15-4-5-16(9-20(15)29-22(18)28)26(3)17-6-7-23-10-17/h4-5,8-9,11-12,17,23H,6-7,10H2,1-3H3
InChIKeyBIBHQWIBROPERY-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.92
Rot. Bonds3

About 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one

3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one (PubChem CID 123277049) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one.

Molecular Properties

Compound Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one
PubChem CID123277049
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one
SMILESCc1cn2cc(-c3cc4ccc(N(C)C5CCNC5)cc4oc3=O)nc2c(C)n1
InChIInChI=1S/C22H23N5O2/c1-13-11-27-12-19(25-21(27)14(2)24-13)18-8-15-4-5-16(9-20(15)29-22(18)28)26(3)17-6-7-23-10-17/h4-5,8-9,11-12,17,23H,6-7,10H2,1-3H3
InChIKeyBIBHQWIBROPERY-UHFFFAOYSA-N
XLogP2.92
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one
CID 118041570
7-[3-(aminomethyl)pyrrolidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 123601059
7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one
CID 159862693
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)chromen-2-one
CID 123619870
7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 170703462
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one
CID 123341802
7-[(3S)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 139460014
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]chromen-2-one
CID 123866673
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 71621549
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
CID 78147521
N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine
CID 123341705
7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
CID 71621397

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one?
The IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one (CID 123277049) is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one.
What is the SMILES notation for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one?
The canonical SMILES for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one is Cc1cn2cc(-c3cc4ccc(N(C)C5CCNC5)cc4oc3=O)nc2c(C)n1.
What is the InChIKey of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one?
The InChIKey is BIBHQWIBROPERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-11-27-12-19(25-21(27)14(2)24-13)18-8-15-4-5-16(9-20(15)29-22(18)28)26(3)17-6-7-23-10-17/h4-5,8-9,11-12,17,23H,6-7,10H2,1-3H3.
What are the key properties of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one?
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one has a molecular weight of 389.46 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one is sourced from PubChem (CID 123277049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).