3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

C18H20BrN3O2 — CID 178110880

IUPAC3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCN1Cc2ncc(Br)c(Nc3c(C)ccc(OC)c3C)c2C1=O
InChIInChI=1S/C18H20BrN3O2/c1-5-22-9-13-15(18(22)23)17(12(19)8-20-13)21-16-10(2)6-7-14(24-4)11(16)3/h6-8H,5,9H2,1-4H3,(H,20,21)
InChIKeyKKILNFRCUDBFSW-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.19
Rot. Bonds4

About 3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 178110880) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID178110880
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCN1Cc2ncc(Br)c(Nc3c(C)ccc(OC)c3C)c2C1=O
InChIInChI=1S/C18H20BrN3O2/c1-5-22-9-13-15(18(22)23)17(12(19)8-20-13)21-16-10(2)6-7-14(24-4)11(16)3/h6-8H,5,9H2,1-4H3,(H,20,21)
InChIKeyKKILNFRCUDBFSW-UHFFFAOYSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine
CID 178111008
9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67486507
6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine
CID 178111219
9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 59868304
9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 69242731
9-amino-2-ethyl-5-(4-fluoro-3-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 25132711
6,7-dimethoxy-2-propyl-3H-isoindol-1-one
CID 86014063
7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 177261613
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
CID 72930183
7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde
CID 178110878
2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129071703
tert-butyl N-(6-bromo-3-methoxy-2-methylphenyl)carbamate
CID 156869532

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 178110880) is 3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one is CCN1Cc2ncc(Br)c(Nc3c(C)ccc(OC)c3C)c2C1=O.
What is the InChIKey of 3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is KKILNFRCUDBFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-5-22-9-13-15(18(22)23)17(12(19)8-20-13)21-16-10(2)6-7-14(24-4)11(16)3/h6-8H,5,9H2,1-4H3,(H,20,21).
What are the key properties of 3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 390.28 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 178110880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).