4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one

C29H22N4O — CID 134347340

IUPAC4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(-c2ccc3ncccc3c2)c(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1C
InChIInChI=1S/C29H22N4O/c1-19-25(23-15-16-24-22(18-23)14-9-17-30-24)29(34)33-28(32(19)2)26(20-10-5-3-6-11-20)27(31-33)21-12-7-4-8-13-21/h3-18H,1-2H3
InChIKeyYFBARGDOWKKSML-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.89
Rot. Bonds3

About 4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one

4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134347340) has the molecular formula C29H22N4O and a molecular weight of 442.52 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134347340
Molecular FormulaC29H22N4O
Molecular Weight442.52 g/mol
Exact Mass442.18
IUPAC Name4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(-c2ccc3ncccc3c2)c(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1C
InChIInChI=1S/C29H22N4O/c1-19-25(23-15-16-24-22(18-23)14-9-17-30-24)29(34)33-28(32(19)2)26(20-10-5-3-6-11-20)27(31-33)21-12-7-4-8-13-21/h3-18H,1-2H3
InChIKeyYFBARGDOWKKSML-UHFFFAOYSA-N
XLogP5.89
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one (CID 134347340) is 4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one is Cc1c(-c2ccc3ncccc3c2)c(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1C.
What is the InChIKey of 4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YFBARGDOWKKSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O/c1-19-25(23-15-16-24-22(18-23)14-9-17-30-24)29(34)33-28(32(19)2)26(20-10-5-3-6-11-20)27(31-33)21-12-7-4-8-13-21/h3-18H,1-2H3.
What are the key properties of 4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one?
4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 442.52 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134347340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).