3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one

C23H24N4O2 — CID 155566827

IUPAC3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one
SMILESCc1cn2nc(-c3cc4ccc(C5CCN(C)CC5)cc4oc3=O)cc2c(C)n1
InChIInChI=1S/C23H24N4O2/c1-14-13-27-21(15(2)24-14)12-20(25-27)19-10-18-5-4-17(11-22(18)29-23(19)28)16-6-8-26(3)9-7-16/h4-5,10-13,16H,6-9H2,1-3H3
InChIKeyJNXMGLGBMCPSGO-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.93
Rot. Bonds2

About 3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one

3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one (PubChem CID 155566827) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one.

Molecular Properties

Compound Name3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one
PubChem CID155566827
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one
SMILESCc1cn2nc(-c3cc4ccc(C5CCN(C)CC5)cc4oc3=O)cc2c(C)n1
InChIInChI=1S/C23H24N4O2/c1-14-13-27-21(15(2)24-14)12-20(25-27)19-10-18-5-4-17(11-22(18)29-23(19)28)16-6-8-26(3)9-7-16/h4-5,10-13,16H,6-9H2,1-3H3
InChIKeyJNXMGLGBMCPSGO-UHFFFAOYSA-N
XLogP3.93
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one?
The IUPAC name of 3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one (CID 155566827) is 3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one.
What is the SMILES notation for 3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one?
The canonical SMILES for 3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one is Cc1cn2nc(-c3cc4ccc(C5CCN(C)CC5)cc4oc3=O)cc2c(C)n1.
What is the InChIKey of 3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one?
The InChIKey is JNXMGLGBMCPSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14-13-27-21(15(2)24-14)12-20(25-27)19-10-18-5-4-17(11-22(18)29-23(19)28)16-6-8-26(3)9-7-16/h4-5,10-13,16H,6-9H2,1-3H3.
What are the key properties of 3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one?
3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one has a molecular weight of 388.47 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one is sourced from PubChem (CID 155566827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).