1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one

C23H20N6O2 — CID 22086993

IUPAC1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1ccc(-n2nc(C)c3ncn(-c4ccc(-n5ccnc5C)cc4)c(=O)c32)cc1
InChIInChI=1S/C23H20N6O2/c1-15-21-22(29(26-15)19-8-10-20(31-3)11-9-19)23(30)28(14-25-21)18-6-4-17(5-7-18)27-13-12-24-16(27)2/h4-14H,1-3H3
InChIKeyOQZVUYPRKOSVHE-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.38
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one

1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 22086993) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID22086993
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1ccc(-n2nc(C)c3ncn(-c4ccc(-n5ccnc5C)cc4)c(=O)c32)cc1
InChIInChI=1S/C23H20N6O2/c1-15-21-22(29(26-15)19-8-10-20(31-3)11-9-19)23(30)28(14-25-21)18-6-4-17(5-7-18)27-13-12-24-16(27)2/h4-14H,1-3H3
InChIKeyOQZVUYPRKOSVHE-UHFFFAOYSA-N
XLogP3.38
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]-7-(4-methoxyphenyl)purin-6-one
CID 18753811
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CID 127038187
CID 172687865
CID 172687865
6-[4-(2-ethylphenyl)phenyl]-3-isocyano-1-(4-methoxyphenyl)pyrazolo[4,5-d]pyrimidin-7-one
CID 59058809
7-(4-methoxyphenyl)-6-methylpurine
CID 134553225
2-(4-methoxyphenyl)-6-(2-methylimidazol-1-yl)quinazoline
CID 44603279
1-(4-butoxyphenyl)-2-methylimidazole
CID 11148936
5-(4-methoxyphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 155806521
2-[4-[3-isocyano-1-(4-methoxyphenyl)-7-oxopyrazolo[4,5-d]pyrimidin-6-yl]phenyl]benzenesulfonamide
CID 22086914
2-[4-[1-(4-methoxyphenyl)-3-(methylperoxymethyl)-7-oxopyrazolo[4,5-d]pyrimidin-6-yl]phenyl]benzenesulfonamide
CID 22086916
13-amino-5-(4-methoxyphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 23656913
ethyl 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoate
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one (CID 22086993) is 1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one is COc1ccc(-n2nc(C)c3ncn(-c4ccc(-n5ccnc5C)cc4)c(=O)c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is OQZVUYPRKOSVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-15-21-22(29(26-15)19-8-10-20(31-3)11-9-19)23(30)28(14-25-21)18-6-4-17(5-7-18)27-13-12-24-16(27)2/h4-14H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one?
1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 412.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methyl-6-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 22086993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).