(2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C26H26N4O — CID 4118984

IUPAC(2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C26H26N4O/c1-18-10-9-11-19(2)29(18)26(31)22-17-27-30-24(21-14-7-4-8-15-21)16-23(28-25(22)30)20-12-5-3-6-13-20/h3-8,12-19H,9-11H2,1-2H3
InChIKeyXPXFLQAWEULQQH-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.47
Rot. Bonds3

About (2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

(2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 4118984) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID4118984
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C26H26N4O/c1-18-10-9-11-19(2)29(18)26(31)22-17-27-30-24(21-14-7-4-8-15-21)16-23(28-25(22)30)20-12-5-3-6-13-20/h3-8,12-19H,9-11H2,1-2H3
InChIKeyXPXFLQAWEULQQH-UHFFFAOYSA-N
XLogP5.47
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylpiperidin-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 4224556
5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 53212228
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92750093
5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981655
N-(3-chloro-2-methylphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981658
N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50793889
[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 3158188
N-(3-morpholin-4-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298706
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 15285460
(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 43319697
(4-methylpiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 24716873

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 4118984) is (2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is CC1CCCC(C)N1C(=O)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is XPXFLQAWEULQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-18-10-9-11-19(2)29(18)26(31)22-17-27-30-24(21-14-7-4-8-15-21)16-23(28-25(22)30)20-12-5-3-6-13-20/h3-8,12-19H,9-11H2,1-2H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
(2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 410.52 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 4118984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).