7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one

C22H22FN5O2 — CID 123862457

IUPAC7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
SMILESCc1cn2cc(-c3cc4c(F)cc(N5CCN(C)C(C)C5)cc4oc3=O)nc2cn1
InChIInChI=1S/C22H22FN5O2/c1-13-10-28-12-19(25-21(28)9-24-13)17-8-16-18(23)6-15(7-20(16)30-22(17)29)27-5-4-26(3)14(2)11-27/h6-10,12,14H,4-5,11H2,1-3H3
InChIKeyQEDWELKSJXTXOT-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.09
Rot. Bonds2

About 7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one

7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one (PubChem CID 123862457) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
PubChem CID123862457
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
SMILESCc1cn2cc(-c3cc4c(F)cc(N5CCN(C)C(C)C5)cc4oc3=O)nc2cn1
InChIInChI=1S/C22H22FN5O2/c1-13-10-28-12-19(25-21(28)9-24-13)17-8-16-18(23)6-15(7-20(16)30-22(17)29)27-5-4-26(3)14(2)11-27/h6-10,12,14H,4-5,11H2,1-3H3
InChIKeyQEDWELKSJXTXOT-UHFFFAOYSA-N
XLogP3.09
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.09
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 7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one?
The IUPAC name of 7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one (CID 123862457) is 7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one.
What is the SMILES notation for 7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one?
The canonical SMILES for 7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one is Cc1cn2cc(-c3cc4c(F)cc(N5CCN(C)C(C)C5)cc4oc3=O)nc2cn1.
What is the InChIKey of 7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one?
The InChIKey is QEDWELKSJXTXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-13-10-28-12-19(25-21(28)9-24-13)17-8-16-18(23)6-15(7-20(16)30-22(17)29)27-5-4-26(3)14(2)11-27/h6-10,12,14H,4-5,11H2,1-3H3.
What are the key properties of 7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one?
7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one has a molecular weight of 407.45 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one is sourced from PubChem (CID 123862457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).