3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one

C23H24FN5O2 — CID 118041570

IUPAC3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one
SMILESCc1cn2cc(-c3cc4c(F)cc(N(C)C5CCN(C)C5)cc4oc3=O)nc2c(C)n1
InChIInChI=1S/C23H24FN5O2/c1-13-10-29-12-20(26-22(29)14(2)25-13)18-9-17-19(24)7-16(8-21(17)31-23(18)30)28(4)15-5-6-27(3)11-15/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyJKKNNBSYFHYZPU-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.40
Rot. Bonds3

About 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one

3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one (PubChem CID 118041570) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one.

Molecular Properties

Compound Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one
PubChem CID118041570
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one
SMILESCc1cn2cc(-c3cc4c(F)cc(N(C)C5CCN(C)C5)cc4oc3=O)nc2c(C)n1
InChIInChI=1S/C23H24FN5O2/c1-13-10-29-12-20(26-22(29)14(2)25-13)18-9-17-19(24)7-16(8-21(17)31-23(18)30)28(4)15-5-6-27(3)11-15/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyJKKNNBSYFHYZPU-UHFFFAOYSA-N
XLogP3.40
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one?
The IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one (CID 118041570) is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one.
What is the SMILES notation for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one?
The canonical SMILES for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one is Cc1cn2cc(-c3cc4c(F)cc(N(C)C5CCN(C)C5)cc4oc3=O)nc2c(C)n1.
What is the InChIKey of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one?
The InChIKey is JKKNNBSYFHYZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-13-10-29-12-20(26-22(29)14(2)25-13)18-9-17-19(24)7-16(8-21(17)31-23(18)30)28(4)15-5-6-27(3)11-15/h7-10,12,15H,5-6,11H2,1-4H3.
What are the key properties of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one?
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one has a molecular weight of 421.48 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 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)-5-fluoro-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one is sourced from PubChem (CID 118041570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).