(4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C23H20N6O2 — CID 136916697

IUPAC(4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C23H20N6O2/c1-13-3-5-16(6-4-13)19-12-24-27-23(25-19)29-22-21(14(2)28-29)18(11-20(31)26-22)15-7-9-17(30)10-8-15/h3-10,12,18,30H,11H2,1-2H3,(H,26,31)/t18-/m0/s1
InChIKeyOUWAHDVKQWPIGG-SFHVURJKSA-N
MW412.45 g/mol
LogP3.52
Rot. Bonds3

About (4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136916697) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is (4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136916697
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name(4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C23H20N6O2/c1-13-3-5-16(6-4-13)19-12-24-27-23(25-19)29-22-21(14(2)28-29)18(11-20(31)26-22)15-7-9-17(30)10-8-15/h3-10,12,18,30H,11H2,1-2H3,(H,26,31)/t18-/m0/s1
InChIKeyOUWAHDVKQWPIGG-SFHVURJKSA-N
XLogP3.52
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

4-[3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 135594534
(4R)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916705
4-(4-fluorophenyl)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594774
(4S)-4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916788
(4R)-4-(4-bromophenyl)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917209
1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594732
methyl 4-[(4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
CID 136916847
(4R)-3-methyl-4-(2-methylphenyl)-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916658
(4S)-4-(2,5-difluorophenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916726
(4S)-4-(2,5-dimethylphenyl)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917150
(4S)-4-(1,3-benzodioxol-5-yl)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917200
(4R)-4-(1,3-benzodioxol-5-yl)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917201

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136916697) is (4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(O)cc3)n2)cc1.
What is the InChIKey of (4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is OUWAHDVKQWPIGG-SFHVURJKSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-13-3-5-16(6-4-13)19-12-24-27-23(25-19)29-22-21(14(2)28-29)18(11-20(31)26-22)15-7-9-17(30)10-8-15/h3-10,12,18,30H,11H2,1-2H3,(H,26,31)/t18-/m0/s1.
What are the key properties of (4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 412.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136916697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).