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

C24H23N5O — CID 1050346

IUPAC(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)CC1
InChIInChI=1S/C24H23N5O/c1-27-12-14-28(15-13-27)24(30)21-17-23-25-20(18-8-4-2-5-9-18)16-22(29(23)26-21)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3
InChIKeySSFOKALIBRZBAB-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.45
Rot. Bonds3

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

(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 1050346) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID1050346
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)CC1
InChIInChI=1S/C24H23N5O/c1-27-12-14-28(15-13-27)24(30)21-17-23-25-20(18-8-4-2-5-9-18)16-22(29(23)26-21)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3
InChIKeySSFOKALIBRZBAB-UHFFFAOYSA-N
XLogP3.45
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Bay-1125976
CID 70817911
(3H)Osip339391
CID 5311041
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
1-[3-(4-Methylpiperazin-1-yl)propyl]-4-{3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}-1,2-dihydropyridin-2-one
CID 5329470
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
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
2-[(4-Methyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1015601
2-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1069844
7-(Difluoromethyl)-5-(4-methylphenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 1094006

Frequently Asked Questions

What is the IUPAC name of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 1050346) is (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)CC1.
What is the InChIKey of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is SSFOKALIBRZBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-27-12-14-28(15-13-27)24(30)21-17-23-25-20(18-8-4-2-5-9-18)16-22(29(23)26-21)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3.
What are the key properties of (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone?
(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 397.48 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 1050346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).