6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one

C30H24N6O3 — CID 137297206

IUPAC6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3ccc(OC)nn3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
InChIInChI=1S/C30H24N6O3/c1-38-22-15-13-20(14-16-22)26-28(31-23-17-18-24(39-2)34-33-23)32-29-25(19-9-5-3-6-10-19)27(35-36(29)30(26)37)21-11-7-4-8-12-21/h3-18,32H,1-2H3,(H,31,33)
InChIKeyRIFPSDRAMZOGDY-UHFFFAOYSA-N
MW516.56 g/mol
LogP5.57
Rot. Bonds7

About 6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one

6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 137297206) has the molecular formula C30H24N6O3 and a molecular weight of 516.56 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID137297206
Molecular FormulaC30H24N6O3
Molecular Weight516.56 g/mol
Exact Mass516.19
IUPAC Name6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3ccc(OC)nn3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
InChIInChI=1S/C30H24N6O3/c1-38-22-15-13-20(14-16-22)26-28(31-23-17-18-24(39-2)34-33-23)32-29-25(19-9-5-3-6-10-19)27(35-36(29)30(26)37)21-11-7-4-8-12-21/h3-18,32H,1-2H3,(H,31,33)
InChIKeyRIFPSDRAMZOGDY-UHFFFAOYSA-N
XLogP5.57
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.56
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-methoxyphenyl)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532425
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
6-(4-methoxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134305963
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-9H-xanthene-9-carboxamide
CID 135735901
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137297367
ethyl 3-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrazole-1-carboxylate
CID 137297511
1-(4-methoxybenzoyl)-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867969
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 11647509
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 11667813
N-(1-(3-methoxyphenyl)-3-phenyl-1H-pyrazol-3-yl)benzamide
CID 11696353
N-(1-phenyl-3-(3-methoxyphenyl)-1H-pyrazol-3-yl)benzamide
CID 11717640

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one (CID 137297206) is 6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(Nc3ccc(OC)nn3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RIFPSDRAMZOGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O3/c1-38-22-15-13-20(14-16-22)26-28(31-23-17-18-24(39-2)34-33-23)32-29-25(19-9-5-3-6-10-19)27(35-36(29)30(26)37)21-11-7-4-8-12-21/h3-18,32H,1-2H3,(H,31,33).
What are the key properties of 6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 516.56 g/mol, XLogP of 5.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 137297206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).