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

C23H23N5O — CID 134347305

IUPAC5-methyl-2-phenyl-3-piperidin-1-yl-6-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccncc1
InChIInChI=1S/C23H23N5O/c1-16-19(17-10-12-24-13-11-17)23(29)28-22(25-16)21(27-14-6-3-7-15-27)20(26-28)18-8-4-2-5-9-18/h2,4-5,8-13,26H,3,6-7,14-15H2,1H3
InChIKeyZAKFODZIZBJGHN-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.05
Rot. Bonds3

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

5-methyl-2-phenyl-3-piperidin-1-yl-6-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134347305) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-methyl-2-phenyl-3-piperidin-1-yl-6-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-3-piperidin-1-yl-6-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134347305
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name5-methyl-2-phenyl-3-piperidin-1-yl-6-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccncc1
InChIInChI=1S/C23H23N5O/c1-16-19(17-10-12-24-13-11-17)23(29)28-22(25-16)21(27-14-6-3-7-15-27)20(26-28)18-8-4-2-5-9-18/h2,4-5,8-13,26H,3,6-7,14-15H2,1H3
InChIKeyZAKFODZIZBJGHN-UHFFFAOYSA-N
XLogP4.05
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
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-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-phenyl-3-piperidin-1-yl-6-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134347305) is 5-methyl-2-phenyl-3-piperidin-1-yl-6-pyridin-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-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-phenyl-3-piperidin-1-yl-6-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccncc1.
What is the InChIKey of 5-methyl-2-phenyl-3-piperidin-1-yl-6-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZAKFODZIZBJGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16-19(17-10-12-24-13-11-17)23(29)28-22(25-16)21(27-14-6-3-7-15-27)20(26-28)18-8-4-2-5-9-18/h2,4-5,8-13,26H,3,6-7,14-15H2,1H3.
What are the key properties of 5-methyl-2-phenyl-3-piperidin-1-yl-6-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-phenyl-3-piperidin-1-yl-6-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 385.47 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 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-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134347305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).