(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

C23H19BrN6O2 — CID 136917106

IUPAC(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
SMILESCOc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(Br)c3)n2)c1
InChIInChI=1S/C23H19BrN6O2/c1-13-21-18(14-5-3-7-16(24)9-14)11-20(31)27-22(21)30(29-13)23-26-19(12-25-28-23)15-6-4-8-17(10-15)32-2/h3-10,12,18H,11H2,1-2H3,(H,27,31)/t18-/m1/s1
InChIKeyJKGQKBGPWXQAJO-GOSISDBHSA-N
MW491.35 g/mol
LogP4.28
Rot. Bonds4

About (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

(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 (PubChem CID 136917106) has the molecular formula C23H19BrN6O2 and a molecular weight of 491.35 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID136917106
Molecular FormulaC23H19BrN6O2
Molecular Weight491.35 g/mol
Exact Mass490.08
IUPAC Name(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
SMILESCOc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(Br)c3)n2)c1
InChIInChI=1S/C23H19BrN6O2/c1-13-21-18(14-5-3-7-16(24)9-14)11-20(31)27-22(21)30(29-13)23-26-19(12-25-28-23)15-6-4-8-17(10-15)32-2/h3-10,12,18H,11H2,1-2H3,(H,27,31)/t18-/m1/s1
InChIKeyJKGQKBGPWXQAJO-GOSISDBHSA-N
XLogP4.28
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 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
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
(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
(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
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
(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-(3-chlorophenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916950
(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
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)-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
2-[3-[1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
CID 135732976

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(Br)c3)n2)c1.
What is the InChIKey of (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?
The InChIKey is JKGQKBGPWXQAJO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H19BrN6O2/c1-13-21-18(14-5-3-7-16(24)9-14)11-20(31)27-22(21)30(29-13)23-26-19(12-25-28-23)15-6-4-8-17(10-15)32-2/h3-10,12,18H,11H2,1-2H3,(H,27,31)/t18-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 491.35 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 136917106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).