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

C25H25N5O2 — CID 134307557

IUPAC4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C25H25N5O2/c1-16-20(17-10-12-19(13-11-17)23(26)31)25(32)30-24(27-16)22(29-14-6-3-7-15-29)21(28-30)18-8-4-2-5-9-18/h2,4-5,8-13,28H,3,6-7,14-15H2,1H3,(H2,26,31)
InChIKeyPIIHTRAAUNGACU-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.75
Rot. Bonds4

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

4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide (PubChem CID 134307557) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide
PubChem CID134307557
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C25H25N5O2/c1-16-20(17-10-12-19(13-11-17)23(26)31)25(32)30-24(27-16)22(29-14-6-3-7-15-29)21(28-30)18-8-4-2-5-9-18/h2,4-5,8-13,28H,3,6-7,14-15H2,1H3,(H2,26,31)
InChIKeyPIIHTRAAUNGACU-UHFFFAOYSA-N
XLogP3.75
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide with MolForge

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Related Compounds

2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 56597967
5-methyl-2-phenyl-3-(piperidin-1-yl)-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307466
5-Methyl-2,6-diphenyl-3-(1-piperidinyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 134315422
2,5-dimethyl-6-(4-methylbenzyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16457431
6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307148
N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide
CID 134307222
5-methyl-6-(4-oxocyclohexen-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307739
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
6-cyclopropyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134308027
6-cyclopentyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134308061
6-(4-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134308263
5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134347315

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide (CID 134307557) is 4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide is Cc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide?
The InChIKey is PIIHTRAAUNGACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-16-20(17-10-12-19(13-11-17)23(26)31)25(32)30-24(27-16)22(29-14-6-3-7-15-29)21(28-30)18-8-4-2-5-9-18/h2,4-5,8-13,28H,3,6-7,14-15H2,1H3,(H2,26,31).
What are the key properties of 4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide?
4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide has a molecular weight of 427.51 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 134307557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).