(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

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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).