6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C22H25N3O2 — CID 71839530

IUPAC6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(N2C(=O)c3cccnc3C2CC(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C22H25N3O2/c1-15-7-9-17(10-8-15)25-19(21-18(22(25)27)6-3-11-23-21)13-20(26)24-12-4-5-16(2)14-24/h3,6-11,16,19H,4-5,12-14H2,1-2H3
InChIKeyZXKWMZDPKSZKAE-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.74
Rot. Bonds3

About 6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 71839530) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID71839530
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(N2C(=O)c3cccnc3C2CC(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C22H25N3O2/c1-15-7-9-17(10-8-15)25-19(21-18(22(25)27)6-3-11-23-21)13-20(26)24-12-4-5-16(2)14-24/h3,6-11,16,19H,4-5,12-14H2,1-2H3
InChIKeyZXKWMZDPKSZKAE-UHFFFAOYSA-N
XLogP3.74
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

(7R)-6-(4-methylphenyl)-7-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95114135
7-[2-(azepan-1-yl)-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71839582
7-[2-(azepan-1-yl)-2-oxoethyl]-6-(3-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71839473
(7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95114134
N-[(4-methylphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839544
2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid
CID 53213909
N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide
CID 71839590
2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide
CID 53201076
N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839534
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
(3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 95096804
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 113232203

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 71839530) is 6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1ccc(N2C(=O)c3cccnc3C2CC(=O)N2CCCC(C)C2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is ZXKWMZDPKSZKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-7-9-17(10-8-15)25-19(21-18(22(25)27)6-3-11-23-21)13-20(26)24-12-4-5-16(2)14-24/h3,6-11,16,19H,4-5,12-14H2,1-2H3.
What are the key properties of 6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 363.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 71839530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).