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

C21H24N4O — CID 134308027

IUPAC6-cyclopropyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1C1CC1
InChIInChI=1S/C21H24N4O/c1-14-17(15-10-11-15)21(26)25-20(22-14)19(24-12-6-3-7-13-24)18(23-25)16-8-4-2-5-9-16/h2,4-5,8-9,15,23H,3,6-7,10-13H2,1H3
InChIKeyDHPVVXAJUMLXAF-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.87
Rot. Bonds3

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

6-cyclopropyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134308027) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-cyclopropyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-cyclopropyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134308027
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name6-cyclopropyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1C1CC1
InChIInChI=1S/C21H24N4O/c1-14-17(15-10-11-15)21(26)25-20(22-14)19(24-12-6-3-7-13-24)18(23-25)16-8-4-2-5-9-16/h2,4-5,8-9,15,23H,3,6-7,10-13H2,1H3
InChIKeyDHPVVXAJUMLXAF-UHFFFAOYSA-N
XLogP3.87
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-cyclopropyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134308027) is 6-cyclopropyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-cyclopropyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-cyclopropyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1C1CC1.
What is the InChIKey of 6-cyclopropyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DHPVVXAJUMLXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-17(15-10-11-15)21(26)25-20(22-14)19(24-12-6-3-7-13-24)18(23-25)16-8-4-2-5-9-16/h2,4-5,8-9,15,23H,3,6-7,10-13H2,1H3.
What are the key properties of 6-cyclopropyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-cyclopropyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 348.45 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134308027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).