5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C24H24N4O — CID 134315422

IUPAC5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccccc1
InChIInChI=1S/C24H24N4O/c1-17-20(18-11-5-2-6-12-18)24(29)28-23(25-17)22(27-15-9-4-10-16-27)21(26-28)19-13-7-3-8-14-19/h2-3,5-8,11-14,26H,4,9-10,15-16H2,1H3
InChIKeyVXLKKMXWVUZGNY-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.66
Rot. Bonds3

About 5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134315422) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134315422
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccccc1
InChIInChI=1S/C24H24N4O/c1-17-20(18-11-5-2-6-12-18)24(29)28-23(25-17)22(27-15-9-4-10-16-27)21(26-28)19-13-7-3-8-14-19/h2-3,5-8,11-14,26H,4,9-10,15-16H2,1H3
InChIKeyVXLKKMXWVUZGNY-UHFFFAOYSA-N
XLogP4.66
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134315422) is 5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccccc1.
What is the InChIKey of 5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VXLKKMXWVUZGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-17-20(18-11-5-2-6-12-18)24(29)28-23(25-17)22(27-15-9-4-10-16-27)21(26-28)19-13-7-3-8-14-19/h2-3,5-8,11-14,26H,4,9-10,15-16H2,1H3.
What are the key properties of 5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 384.48 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,6-diphenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134315422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).