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

C24H22N6O2S — CID 135594706

IUPAC1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)CC4c3ccc(SC)cc3)n2)c1
InChIInChI=1S/C24H22N6O2S/c1-14-22-19(15-7-9-18(33-3)10-8-15)12-21(31)27-23(22)30(29-14)24-26-20(13-25-28-24)16-5-4-6-17(11-16)32-2/h4-11,13,19H,12H2,1-3H3,(H,27,31)
InChIKeyNGKRQVCFGYKEDL-UHFFFAOYSA-N
MW458.55 g/mol
LogP4.24
Rot. Bonds5

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

1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135594706) has the molecular formula C24H22N6O2S and a molecular weight of 458.55 g/mol. Its IUPAC name is 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135594706
Molecular FormulaC24H22N6O2S
Molecular Weight458.55 g/mol
Exact Mass458.15
IUPAC Name1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)CC4c3ccc(SC)cc3)n2)c1
InChIInChI=1S/C24H22N6O2S/c1-14-22-19(15-7-9-18(33-3)10-8-15)12-21(31)27-23(22)30(29-14)24-26-20(13-25-28-24)16-5-4-6-17(11-16)32-2/h4-11,13,19H,12H2,1-3H3,(H,27,31)
InChIKeyNGKRQVCFGYKEDL-UHFFFAOYSA-N
XLogP4.24
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-(4-bromophenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917109
(4R)-4-(3-bromophenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917106
(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
(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
(4S)-4-(1,3-benzodioxol-5-yl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917099
(4S)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-4-(3-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917166
4-(3-ethoxy-4-hydroxyphenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594694
(4R)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-4-(3-methoxy-4-prop-2-enoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917072
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
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)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136882982
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135594706) is 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)CC4c3ccc(SC)cc3)n2)c1.
What is the InChIKey of 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NGKRQVCFGYKEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S/c1-14-22-19(15-7-9-18(33-3)10-8-15)12-21(31)27-23(22)30(29-14)24-26-20(13-25-28-24)16-5-4-6-17(11-16)32-2/h4-11,13,19H,12H2,1-3H3,(H,27,31).
What are the key properties of 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 458.55 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135594706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).