4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one

C23H23N3O3 — CID 166822210

IUPAC4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCOc1ccc(CN2C(=O)c3nccc(N)c3C2c2ccccc2C)c(OC)c1
InChIInChI=1S/C23H23N3O3/c1-14-6-4-5-7-17(14)22-20-18(24)10-11-25-21(20)23(27)26(22)13-15-8-9-16(28-2)12-19(15)29-3/h4-12,22H,13H2,1-3H3,(H2,24,25)
InChIKeySFINKJZQNFKGDB-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.73
Rot. Bonds5

About 4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one

4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one (PubChem CID 166822210) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one
PubChem CID166822210
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCOc1ccc(CN2C(=O)c3nccc(N)c3C2c2ccccc2C)c(OC)c1
InChIInChI=1S/C23H23N3O3/c1-14-6-4-5-7-17(14)22-20-18(24)10-11-25-21(20)23(27)26(22)13-15-8-9-16(28-2)12-19(15)29-3/h4-12,22H,13H2,1-3H3,(H2,24,25)
InChIKeySFINKJZQNFKGDB-UHFFFAOYSA-N
XLogP3.73
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-4-[(2,4-dimethoxyphenyl)methylamino]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one
CID 166822874
4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-chloro-2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166822287
4-amino-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)-3H-isoindol-1-one
CID 166822332
4,6-dichloro-2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166822289
(3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 131864147
(2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 94073209
3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3808644
(4E)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-(2-methylphenyl)-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione
CID 108651472
(4E)-4-[(2,6-dimethoxyphenyl)-hydroxymethylidene]-1-[(2-methoxyphenyl)methyl]-5-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108606397
8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione
CID 102119190
(4E)-4-[(3,4-dimethylphenyl)-hydroxymethylidene]-1-[(2-methoxyphenyl)methyl]-5-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108606360
(2S,5R)-2-benzyl-1-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2,5-dihydropyridin-6-one
CID 11602763

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of 4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one (CID 166822210) is 4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for 4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for 4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one is COc1ccc(CN2C(=O)c3nccc(N)c3C2c2ccccc2C)c(OC)c1.
What is the InChIKey of 4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one?
The InChIKey is SFINKJZQNFKGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-6-4-5-7-17(14)22-20-18(24)10-11-25-21(20)23(27)26(22)13-15-8-9-16(28-2)12-19(15)29-3/h4-12,22H,13H2,1-3H3,(H2,24,25).
What are the key properties of 4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one?
4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one has a molecular weight of 389.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[(2,4-dimethoxyphenyl)methyl]-5-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 166822210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).