6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one

C21H23N3O3 — CID 90495109

IUPAC6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one
SMILESCc1cc2oc(C(=O)N3CCC(Cn4cccn4)CC3)cc(=O)c2cc1C
InChIInChI=1S/C21H23N3O3/c1-14-10-17-18(25)12-20(27-19(17)11-15(14)2)21(26)23-8-4-16(5-9-23)13-24-7-3-6-22-24/h3,6-7,10-12,16H,4-5,8-9,13H2,1-2H3
InChIKeyGWRRIYPOXWUJHW-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.16
Rot. Bonds3

About 6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one

6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one (PubChem CID 90495109) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one
PubChem CID90495109
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one
SMILESCc1cc2oc(C(=O)N3CCC(Cn4cccn4)CC3)cc(=O)c2cc1C
InChIInChI=1S/C21H23N3O3/c1-14-10-17-18(25)12-20(27-19(17)11-15(14)2)21(26)23-8-4-16(5-9-23)13-24-7-3-6-22-24/h3,6-7,10-12,16H,4-5,8-9,13H2,1-2H3
InChIKeyGWRRIYPOXWUJHW-UHFFFAOYSA-N
XLogP3.16
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one?
The IUPAC name of 6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one (CID 90495109) is 6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one?
The canonical SMILES for 6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one is Cc1cc2oc(C(=O)N3CCC(Cn4cccn4)CC3)cc(=O)c2cc1C.
What is the InChIKey of 6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one?
The InChIKey is GWRRIYPOXWUJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-10-17-18(25)12-20(27-19(17)11-15(14)2)21(26)23-8-4-16(5-9-23)13-24-7-3-6-22-24/h3,6-7,10-12,16H,4-5,8-9,13H2,1-2H3.
What are the key properties of 6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one?
6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one has a molecular weight of 365.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 90495109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).