methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate

C19H16N4O3 — CID 136713787

IUPACmethyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)n1
InChIInChI=1S/C19H16N4O3/c1-26-19(25)14-9-5-8-13(20-14)12-10-15(24)21-18-16(12)17(22-23-18)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3,(H2,21,22,23,24)/t12-/m0/s1
InChIKeyJZTUDIWDZDUFKV-LBPRGKRZSA-N
MW348.36 g/mol
LogP2.73
Rot. Bonds3

About methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate

methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate (PubChem CID 136713787) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate
PubChem CID136713787
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Namemethyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)n1
InChIInChI=1S/C19H16N4O3/c1-26-19(25)14-9-5-8-13(20-14)12-10-15(24)21-18-16(12)17(22-23-18)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3,(H2,21,22,23,24)/t12-/m0/s1
InChIKeyJZTUDIWDZDUFKV-LBPRGKRZSA-N
XLogP2.73
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate with MolForge

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Related Compounds

3-[3-(4-methoxyphenyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]benzoic acid
CID 169416965
2-[2-methoxy-4-[(4S)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide
CID 135906156
(4R)-4-(2-chlorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135577812
4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621384
methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate
CID 136882346
methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate
CID 95149140
(4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136915567
methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate
CID 50984282
(4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136698041
3-(4-chlorophenyl)-4-(4-ethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135620687
4-(1H-benzimidazol-2-yl)-3-(3,4,5-trimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169416306
3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621381

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate (CID 136713787) is methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate is COC(=O)c1cccc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)n1.
What is the InChIKey of methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate?
The InChIKey is JZTUDIWDZDUFKV-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-26-19(25)14-9-5-8-13(20-14)12-10-15(24)21-18-16(12)17(22-23-18)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3,(H2,21,22,23,24)/t12-/m0/s1.
What are the key properties of methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate?
methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate is sourced from PubChem (CID 136713787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).