5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C31H24N4O2 — CID 134307677

IUPAC5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3ccccc3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C31H24N4O2/c1-37-25-19-17-22(18-20-25)27-29(32-24-15-9-4-10-16-24)33-30-26(21-11-5-2-6-12-21)28(34-35(30)31(27)36)23-13-7-3-8-14-23/h2-20,32,34H,1H3
InChIKeyMEIPRIBQGIMLOG-UHFFFAOYSA-N
MW484.56 g/mol
LogP6.78
Rot. Bonds6

About 5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307677) has the molecular formula C31H24N4O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134307677
Molecular FormulaC31H24N4O2
Molecular Weight484.56 g/mol
Exact Mass484.19
IUPAC Name5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3ccccc3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C31H24N4O2/c1-37-25-19-17-22(18-20-25)27-29(32-24-15-9-4-10-16-24)33-30-26(21-11-5-2-6-12-21)28(34-35(30)31(27)36)23-13-7-3-8-14-23/h2-20,32,34H,1H3
InChIKeyMEIPRIBQGIMLOG-UHFFFAOYSA-N
XLogP6.78
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307677) is 5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(Nc3ccccc3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1.
What is the InChIKey of 5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MEIPRIBQGIMLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O2/c1-37-25-19-17-22(18-20-25)27-29(32-24-15-9-4-10-16-24)33-30-26(21-11-5-2-6-12-21)28(34-35(30)31(27)36)23-13-7-3-8-14-23/h2-20,32,34H,1H3.
What are the key properties of 5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 484.56 g/mol, XLogP of 6.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).