7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine

C24H33N3O2 — CID 143015034

IUPAC7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine
SMILESCOCC(C)CCc1c(C)c(-c2ccc(C(C)C)nc2OC)nc2c(C)c[nH]c12
InChIInChI=1S/C24H33N3O2/c1-14(2)20-11-10-19(24(26-20)29-7)22-17(5)18(9-8-15(3)13-28-6)23-21(27-22)16(4)12-25-23/h10-12,14-15,25H,8-9,13H2,1-7H3
InChIKeyIUDUCFKFZLGMLW-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.59
Rot. Bonds8

About 7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine

7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 143015034) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID143015034
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine
SMILESCOCC(C)CCc1c(C)c(-c2ccc(C(C)C)nc2OC)nc2c(C)c[nH]c12
InChIInChI=1S/C24H33N3O2/c1-14(2)20-11-10-19(24(26-20)29-7)22-17(5)18(9-8-15(3)13-28-6)23-21(27-22)16(4)12-25-23/h10-12,14-15,25H,8-9,13H2,1-7H3
InChIKeyIUDUCFKFZLGMLW-UHFFFAOYSA-N
XLogP5.59
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
CID 143014939
ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
CID 143014938
6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane
CID 143580476
1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine
CID 24788932
(2S)-3-methoxy-2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol
CID 58702864
1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine
CID 58703168
1-butan-2-yl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 58702847
ethane;2-methoxy-3-methyl-6-propan-2-ylpyridine
CID 170578383
ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol
CID 143580211
1-[(2,6-dichlorophenyl)methyl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 71157729
5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine
CID 58703052
1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone
CID 58702948

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine (CID 143015034) is 7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine is COCC(C)CCc1c(C)c(-c2ccc(C(C)C)nc2OC)nc2c(C)c[nH]c12.
What is the InChIKey of 7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is IUDUCFKFZLGMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-14(2)20-11-10-19(24(26-20)29-7)22-17(5)18(9-8-15(3)13-28-6)23-21(27-22)16(4)12-25-23/h10-12,14-15,25H,8-9,13H2,1-7H3.
What are the key properties of 7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine?
7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 395.55 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 143015034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).