2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid

C19H21N3O5 — CID 158503714

IUPAC2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid
SMILESCOc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(OC)c1CNCC(=O)O
InChIInChI=1S/C19H21N3O5/c1-22-10-15(12-6-20-7-13(12)19(22)25)11-4-16(26-2)14(17(5-11)27-3)8-21-9-18(23)24/h4-6,10,21H,7-9H2,1-3H3,(H,23,24)
InChIKeyBBGSOULNTCVFKW-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.18
Rot. Bonds7

About 2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid

2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid (PubChem CID 158503714) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid
PubChem CID158503714
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid
SMILESCOc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(OC)c1CNCC(=O)O
InChIInChI=1S/C19H21N3O5/c1-22-10-15(12-6-20-7-13(12)19(22)25)11-4-16(26-2)14(17(5-11)27-3)8-21-9-18(23)24/h4-6,10,21H,7-9H2,1-3H3,(H,23,24)
InChIKeyBBGSOULNTCVFKW-UHFFFAOYSA-N
XLogP1.18
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid with MolForge

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Related Compounds

2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]-N-[1-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-8-oxooctanoyl]piperidin-4-yl]acetamide
CID 165067399
[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate
CID 165079439
2-[(2,6-dimethoxy-4-methylphenyl)methylamino]acetic acid;ethane
CID 145435875
N-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 165069746
2-[[2-fluoro-6-methoxy-4-[2-methyl-3-[2-methyl-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]phenyl]phenyl]phenyl]methylamino]acetic acid
CID 155288264
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-1-oxoisoquinoline-7-carboxylic acid
CID 139370779
1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3-methylazetidine-3-carboxylic acid
CID 154672640
7-acetyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
CID 154671666
4-[3,5-dimethoxy-4-[(propan-2-ylamino)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 167060406
3-[[4-[1-[[6-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione
CID 164953188
5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane
CID 177321773
4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 139373794

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid?
The IUPAC name of 2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid (CID 158503714) is 2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid?
The canonical SMILES for 2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid is COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(OC)c1CNCC(=O)O.
What is the InChIKey of 2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid?
The InChIKey is BBGSOULNTCVFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-22-10-15(12-6-20-7-13(12)19(22)25)11-4-16(26-2)14(17(5-11)27-3)8-21-9-18(23)24/h4-6,10,21H,7-9H2,1-3H3,(H,23,24).
What are the key properties of 2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid?
2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid has a molecular weight of 371.39 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetic acid is sourced from PubChem (CID 158503714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).