4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one

C29H22N6O2 — CID 175783605

IUPAC4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-n2c(Nc3ccccn3)cc(=O)n3nc(-c4ccccn4)c(-c4ccccc4)c23)cc1
InChIInChI=1S/C29H22N6O2/c1-37-22-15-13-21(14-16-22)34-25(32-24-12-6-8-18-31-24)19-26(36)35-29(34)27(20-9-3-2-4-10-20)28(33-35)23-11-5-7-17-30-23/h2-19H,1H3,(H,31,32)
InChIKeyLJMOMDCCKQAUQW-UHFFFAOYSA-N
MW486.54 g/mol
LogP5.36
Rot. Bonds6

About 4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one

4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 175783605) has the molecular formula C29H22N6O2 and a molecular weight of 486.54 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID175783605
Molecular FormulaC29H22N6O2
Molecular Weight486.54 g/mol
Exact Mass486.18
IUPAC Name4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-n2c(Nc3ccccn3)cc(=O)n3nc(-c4ccccn4)c(-c4ccccc4)c23)cc1
InChIInChI=1S/C29H22N6O2/c1-37-22-15-13-21(14-16-22)34-25(32-24-12-6-8-18-31-24)19-26(36)35-29(34)27(20-9-3-2-4-10-20)28(33-35)23-11-5-7-17-30-23/h2-19H,1H3,(H,31,32)
InChIKeyLJMOMDCCKQAUQW-UHFFFAOYSA-N
XLogP5.36
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane
CID 142295566
4-(4-methoxyphenyl)-1-methyl-3-pyridin-2-ylpyrazol-5-amine
CID 62824966
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307447
1-(4-methoxyphenyl)-3-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42754625
1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine
CID 102581194
2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one
CID 136863153
6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one
CID 134913131
2-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine;dihydrate
CID 139068037
3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CID 142295559
3-(4-methoxyphenyl)-1,4-diphenylimidazol-2-one
CID 1226931
4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 86064133
5-(4-methoxyphenyl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44624294

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one (CID 175783605) is 4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-n2c(Nc3ccccn3)cc(=O)n3nc(-c4ccccn4)c(-c4ccccc4)c23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LJMOMDCCKQAUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N6O2/c1-37-22-15-13-21(14-16-22)34-25(32-24-12-6-8-18-31-24)19-26(36)35-29(34)27(20-9-3-2-4-10-20)28(33-35)23-11-5-7-17-30-23/h2-19H,1H3,(H,31,32).
What are the key properties of 4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one?
4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 486.54 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 175783605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).