5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H22N6O — CID 134307698

IUPAC5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1cn[nH]c1
InChIInChI=1S/C21H22N6O/c1-14-17(16-12-22-23-13-16)21(28)27-20(24-14)19(26-10-6-3-7-11-26)18(25-27)15-8-4-2-5-9-15/h2,4-5,8-9,12-13,25H,3,6-7,10-11H2,1H3,(H,22,23)
InChIKeyOBNBREXGHVTAIV-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.38
Rot. Bonds3

About 5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307698) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134307698
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1cn[nH]c1
InChIInChI=1S/C21H22N6O/c1-14-17(16-12-22-23-13-16)21(28)27-20(24-14)19(26-10-6-3-7-11-26)18(25-27)15-8-4-2-5-9-15/h2,4-5,8-9,12-13,25H,3,6-7,10-11H2,1H3,(H,22,23)
InChIKeyOBNBREXGHVTAIV-UHFFFAOYSA-N
XLogP3.38
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307698) is 5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1cn[nH]c1.
What is the InChIKey of 5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OBNBREXGHVTAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-14-17(16-12-22-23-13-16)21(28)27-20(24-14)19(26-10-6-3-7-11-26)18(25-27)15-8-4-2-5-9-15/h2,4-5,8-9,12-13,25H,3,6-7,10-11H2,1H3,(H,22,23).
What are the key properties of 5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 374.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-3-piperidin-1-yl-6-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).