5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C28H24N4O4 — CID 1257799

IUPAC5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc(OC)c1OC
InChIInChI=1S/C28H24N4O4/c1-34-24-14-20(15-25(35-2)27(24)36-3)29-28(33)22-17-26-30-21(18-10-6-4-7-11-18)16-23(32(26)31-22)19-12-8-5-9-13-19/h4-17H,1-3H3,(H,29,33)
InChIKeyXSLGWYYZZSEJMJ-UHFFFAOYSA-N
MW480.52 g/mol
LogP5.34
Rot. Bonds7

About 5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1257799) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is 5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1257799
Molecular FormulaC28H24N4O4
Molecular Weight480.52 g/mol
Exact Mass480.18
IUPAC Name5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc(OC)c1OC
InChIInChI=1S/C28H24N4O4/c1-34-24-14-20(15-25(35-2)27(24)36-3)29-28(33)22-17-26-30-21(18-10-6-4-7-11-18)16-23(32(26)31-22)19-12-8-5-9-13-19/h4-17H,1-3H3,(H,29,33)
InChIKeyXSLGWYYZZSEJMJ-UHFFFAOYSA-N
XLogP5.34
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9357704
N-(3-hydroxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1050350
N-1,3-benzodioxol-5-yl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2982379
(3-{5-Methyl-2-[(3,4,5-trimethoxyphenyl)-amino]imidazo[5,1-f][1,2,4]triazin-7-yl}phenyl)(phenyl)-methanone
CID 11466081
2,6-difluoro-N-[3-[3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529101
N-(1,3-Benzodioxol-5-yl)-5-isopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 653043
1-(5-Phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-4-carboxylic acid (3,4-dimethoxy-phenyl)-amide
CID 653614
N-1,3-benzodioxol-5-yl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256595
N-(4-acetylphenyl)-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 16008292
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16008588
N-(2-acetylphenyl)-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 16008599
N-(3,5-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16024406

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1257799) is 5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc(OC)c1OC.
What is the InChIKey of 5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XSLGWYYZZSEJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4/c1-34-24-14-20(15-25(35-2)27(24)36-3)29-28(33)22-17-26-30-21(18-10-6-4-7-11-18)16-23(32(26)31-22)19-12-8-5-9-13-19/h4-17H,1-3H3,(H,29,33).
What are the key properties of 5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 480.52 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1257799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).