(4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C21H19N5O2 — CID 136698041

IUPAC(4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCOc1cccc(-c2[nH]nc3c2[C@H](c2nc(C)n4ccccc24)CC(=O)N3)c1
InChIInChI=1S/C21H19N5O2/c1-12-22-20(16-8-3-4-9-26(12)16)15-11-17(27)23-21-18(15)19(24-25-21)13-6-5-7-14(10-13)28-2/h3-10,15H,11H2,1-2H3,(H2,23,24,25,27)/t15-/m1/s1
InChIKeyXRTJYNCUCGAZBM-OAHLLOKOSA-N
MW373.42 g/mol
LogP3.52
Rot. Bonds3

About (4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

(4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 136698041) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is (4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID136698041
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name(4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCOc1cccc(-c2[nH]nc3c2[C@H](c2nc(C)n4ccccc24)CC(=O)N3)c1
InChIInChI=1S/C21H19N5O2/c1-12-22-20(16-8-3-4-9-26(12)16)15-11-17(27)23-21-18(15)19(24-25-21)13-6-5-7-14(10-13)28-2/h3-10,15H,11H2,1-2H3,(H2,23,24,25,27)/t15-/m1/s1
InChIKeyXRTJYNCUCGAZBM-OAHLLOKOSA-N
XLogP3.52
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136915567
3-[3-(4-methoxyphenyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]benzoic acid
CID 169416965
(4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136882272
3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135990272
3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169418224
methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate
CID 136713787
4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621384
(5S)-5-(3-methoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135577791
2-[2-methoxy-4-[(4S)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide
CID 135906156
3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169412310
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169415895
4-(1H-benzimidazol-2-yl)-3-(3,4,5-trimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169416306

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (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) is (4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is COc1cccc(-c2[nH]nc3c2[C@H](c2nc(C)n4ccccc24)CC(=O)N3)c1.
What is the InChIKey of (4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is XRTJYNCUCGAZBM-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-12-22-20(16-8-3-4-9-26(12)16)15-11-17(27)23-21-18(15)19(24-25-21)13-6-5-7-14(10-13)28-2/h3-10,15H,11H2,1-2H3,(H2,23,24,25,27)/t15-/m1/s1.
What are the key properties of (4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
(4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 373.42 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136698041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).