2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol

C26H31N3O3 — CID 91371946

IUPAC2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol
SMILESCOc1ccc(-n2cc3c(c2O)c2ccccc2n3C)cc1OCCN1CCC(C)CC1
InChIInChI=1S/C26H31N3O3/c1-18-10-12-28(13-11-18)14-15-32-24-16-19(8-9-23(24)31-3)29-17-22-25(26(29)30)20-6-4-5-7-21(20)27(22)2/h4-9,16-18,30H,10-15H2,1-3H3
InChIKeySNSSIUQXSWHBGR-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.95
Rot. Bonds6

About 2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol

2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol (PubChem CID 91371946) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol.

Molecular Properties

Compound Name2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol
PubChem CID91371946
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol
SMILESCOc1ccc(-n2cc3c(c2O)c2ccccc2n3C)cc1OCCN1CCC(C)CC1
InChIInChI=1S/C26H31N3O3/c1-18-10-12-28(13-11-18)14-15-32-24-16-19(8-9-23(24)31-3)29-17-22-25(26(29)30)20-6-4-5-7-21(20)27(22)2/h4-9,16-18,30H,10-15H2,1-3H3
InChIKeySNSSIUQXSWHBGR-UHFFFAOYSA-N
XLogP4.95
TPSA51.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol with MolForge

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Related Compounds

2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol
CID 90797058
7-bromo-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
CID 91317724
7-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
CID 90737160
6,7-dichloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
CID 91409732
5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
CID 91040837
2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-3,4-dimethyl-3H-pyrrolo[3,4-b]indol-1-one;hydrochloride
CID 10435428
2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol
CID 91012940
6-fluoro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one
CID 10368204
(2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol
CID 66516344
7-bromo-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-3H-isoindol-1-one;hydrochloride
CID 11237289
4-(3,4-dichlorophenyl)-1-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2H-pyrrol-5-one
CID 11225281
1-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-(4-methylphenyl)-2H-pyrrol-5-one;hydrochloride
CID 68882069

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol?
The IUPAC name of 2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol (CID 91371946) is 2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol.
What is the SMILES notation for 2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol?
The canonical SMILES for 2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol is COc1ccc(-n2cc3c(c2O)c2ccccc2n3C)cc1OCCN1CCC(C)CC1.
What is the InChIKey of 2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol?
The InChIKey is SNSSIUQXSWHBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-18-10-12-28(13-11-18)14-15-32-24-16-19(8-9-23(24)31-3)29-17-22-25(26(29)30)20-6-4-5-7-21(20)27(22)2/h4-9,16-18,30H,10-15H2,1-3H3.
What are the key properties of 2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol?
2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol has a molecular weight of 433.55 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol is sourced from PubChem (CID 91371946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).