7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine

C22H26N2O5S — CID 90417026

IUPAC7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine
SMILESCOc1nccc2c(-c3cc(S(C)(=O)=O)ccc3OCC3CCOCC3)cn(C)c12
InChIInChI=1S/C22H26N2O5S/c1-24-13-19(17-6-9-23-22(27-2)21(17)24)18-12-16(30(3,25)26)4-5-20(18)29-14-15-7-10-28-11-8-15/h4-6,9,12-13,15H,7-8,10-11,14H2,1-3H3
InChIKeyMZKHESKAYZSZGC-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.46
Rot. Bonds6

About 7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine

7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine (PubChem CID 90417026) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine
PubChem CID90417026
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine
SMILESCOc1nccc2c(-c3cc(S(C)(=O)=O)ccc3OCC3CCOCC3)cn(C)c12
InChIInChI=1S/C22H26N2O5S/c1-24-13-19(17-6-9-23-22(27-2)21(17)24)18-12-16(30(3,25)26)4-5-20(18)29-14-15-7-10-28-11-8-15/h4-6,9,12-13,15H,7-8,10-11,14H2,1-3H3
InChIKeyMZKHESKAYZSZGC-UHFFFAOYSA-N
XLogP3.46
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-3-yloxy)phenyl]pyrrolo[2,3-c]pyridine
CID 90416100
N-(cyclohexylmethyl)-2-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-4-methylsulfonylaniline
CID 90416399
3-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 90416306
4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one
CID 118028015
6-chloro-4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methylisoquinolin-1-one
CID 118027910
N-[4-(4-methoxycyclohexyl)oxy-3-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide
CID 90415361
5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022228
7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one
CID 118028094
5-[2-(cyclobutylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022586
3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine
CID 90416263
6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 139341574
2-cyclopropyl-N-(2,4-difluorophenyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-4-(methylsulfonylmethyl)aniline
CID 90388201

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine?
The IUPAC name of 7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine (CID 90417026) is 7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine is COc1nccc2c(-c3cc(S(C)(=O)=O)ccc3OCC3CCOCC3)cn(C)c12.
What is the InChIKey of 7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine?
The InChIKey is MZKHESKAYZSZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-24-13-19(17-6-9-23-22(27-2)21(17)24)18-12-16(30(3,25)26)4-5-20(18)29-14-15-7-10-28-11-8-15/h4-6,9,12-13,15H,7-8,10-11,14H2,1-3H3.
What are the key properties of 7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine?
7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine has a molecular weight of 430.53 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 90417026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).