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

C23H23N5O2 — CID 134307754

IUPAC5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc(=O)[nH]c1
InChIInChI=1S/C23H23N5O2/c1-15-19(17-10-11-18(29)24-14-17)23(30)28-22(25-15)21(27-12-6-3-7-13-27)20(26-28)16-8-4-2-5-9-16/h2,4-5,8-11,14,26H,3,6-7,12-13H2,1H3,(H,24,29)
InChIKeyNZDPZDRGOGNHNW-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.34
Rot. Bonds3

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

5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307754) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134307754
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc(=O)[nH]c1
InChIInChI=1S/C23H23N5O2/c1-15-19(17-10-11-18(29)24-14-17)23(30)28-22(25-15)21(27-12-6-3-7-13-27)20(26-28)16-8-4-2-5-9-16/h2,4-5,8-11,14,26H,3,6-7,12-13H2,1H3,(H,24,29)
InChIKeyNZDPZDRGOGNHNW-UHFFFAOYSA-N
XLogP3.34
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307754) is 5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc(=O)[nH]c1.
What is the InChIKey of 5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NZDPZDRGOGNHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15-19(17-10-11-18(29)24-14-17)23(30)28-22(25-15)21(27-12-6-3-7-13-27)20(26-28)16-8-4-2-5-9-16/h2,4-5,8-11,14,26H,3,6-7,12-13H2,1H3,(H,24,29).
What are the key properties of 5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 401.47 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).