(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperidin-1-yl)methanone

C25H24N4O — CID 1257379

IUPAC(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)CC1
InChIInChI=1S/C25H24N4O/c1-18-12-14-28(15-13-18)25(30)22-17-24-26-21(19-8-4-2-5-9-19)16-23(29(24)27-22)20-10-6-3-7-11-20/h2-11,16-18H,12-15H2,1H3
InChIKeyXWSIGLCYJMCRDI-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.94
Rot. Bonds3

About (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperidin-1-yl)methanone

(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 1257379) 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)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID1257379
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)CC1
InChIInChI=1S/C25H24N4O/c1-18-12-14-28(15-13-18)25(30)22-17-24-26-21(19-8-4-2-5-9-19)16-23(29(24)27-22)20-10-6-3-7-11-20/h2-11,16-18H,12-15H2,1H3
InChIKeyXWSIGLCYJMCRDI-UHFFFAOYSA-N
XLogP4.94
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3H)Osip339391
CID 5311041
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118471483
PDE2 inhibitor 6
CID 129120905
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
[3-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118470985
US10774086, Example 9
CID 134551591

Frequently Asked Questions

What is the IUPAC name of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperidin-1-yl)methanone (CID 1257379) is (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)CC1.
What is the InChIKey of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is XWSIGLCYJMCRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-18-12-14-28(15-13-18)25(30)22-17-24-26-21(19-8-4-2-5-9-19)16-23(29(24)27-22)20-10-6-3-7-11-20/h2-11,16-18H,12-15H2,1H3.
What are the key properties of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperidin-1-yl)methanone?
(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 396.49 g/mol, XLogP of 4.94, 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)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 1257379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).