(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone

C25H24N4O — CID 3113006

IUPAC(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C25H24N4O/c1-18-10-8-9-15-28(18)25(30)22-17-24-26-21(19-11-4-2-5-12-19)16-23(29(24)27-22)20-13-6-3-7-14-20/h2-7,11-14,16-18H,8-10,15H2,1H3
InChIKeyZIHAUZPDTWGAGA-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.08
Rot. Bonds3

About (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone

(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 3113006) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID3113006
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C25H24N4O/c1-18-10-8-9-15-28(18)25(30)22-17-24-26-21(19-11-4-2-5-12-19)16-23(29(24)27-22)20-13-6-3-7-14-20/h2-7,11-14,16-18H,8-10,15H2,1H3
InChIKeyZIHAUZPDTWGAGA-UHFFFAOYSA-N
XLogP5.08
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3H)Osip339391
CID 5311041
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
Jqez5
CID 121322599
N-Methyl-N-(3-(6-Phenyl(1,2,4)Triazolo(4,3-B)Pyridazin-3-Yl)Phenyl)Acetamide
CID 5287936
2-[6,8-dimethyl-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
CID 44197008
N,N-diethyl-2-[2-[4-(4-fluorobut-1-ynyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 76310900
N,N-diethyl-2-[2-[4-(3-fluoroprop-1-ynyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 76314543
N,N-diethyl-2-[2-[4-(5-fluoropent-1-ynyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 76328987
N,N-diethyl-2-[2-[4-(6-fluorohex-1-ynyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 76332665
US10774086, Example 9
CID 134551591
5-[5-Amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 156821433
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600

Frequently Asked Questions

What is the IUPAC name of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone (CID 3113006) is (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1.
What is the InChIKey of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is ZIHAUZPDTWGAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-18-10-8-9-15-28(18)25(30)22-17-24-26-21(19-11-4-2-5-12-19)16-23(29(24)27-22)20-13-6-3-7-14-20/h2-7,11-14,16-18H,8-10,15H2,1H3.
What are the key properties of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone?
(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 396.49 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3113006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).