4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one

C24H19ClN4O — CID 3956519

IUPAC4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(c1ccc(Cl)cc1)N(c1ccccc1)C(=O)N2
InChIInChI=1S/C24H19ClN4O/c1-16-21-22(17-12-14-18(25)15-13-17)28(19-8-4-2-5-9-19)24(30)26-23(21)29(27-16)20-10-6-3-7-11-20/h2-15,22H,1H3,(H,26,30)
InChIKeyKOTRBTHIJPIPTJ-UHFFFAOYSA-N
MW414.90 g/mol
LogP5.98
Rot. Bonds3

About 4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one

4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one (PubChem CID 3956519) has the molecular formula C24H19ClN4O and a molecular weight of 414.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one
PubChem CID3956519
Molecular FormulaC24H19ClN4O
Molecular Weight414.90 g/mol
Exact Mass414.12
IUPAC Name4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(c1ccc(Cl)cc1)N(c1ccccc1)C(=O)N2
InChIInChI=1S/C24H19ClN4O/c1-16-21-22(17-12-14-18(25)15-13-17)28(19-8-4-2-5-9-19)24(30)26-23(21)29(27-16)20-10-6-3-7-11-20/h2-15,22H,1H3,(H,26,30)
InChIKeyKOTRBTHIJPIPTJ-UHFFFAOYSA-N
XLogP5.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.90
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one?
The IUPAC name of 4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one (CID 3956519) is 4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one is Cc1nn(-c2ccccc2)c2c1C(c1ccc(Cl)cc1)N(c1ccccc1)C(=O)N2.
What is the InChIKey of 4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one?
The InChIKey is KOTRBTHIJPIPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O/c1-16-21-22(17-12-14-18(25)15-13-17)28(19-8-4-2-5-9-19)24(30)26-23(21)29(27-16)20-10-6-3-7-11-20/h2-15,22H,1H3,(H,26,30).
What are the key properties of 4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one?
4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one has a molecular weight of 414.90 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one is sourced from PubChem (CID 3956519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).