7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one

C26H31N3O4 — CID 10368126

IUPAC7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one
SMILESCOc1ccc2c(c1)c1c(n2C)CN(c2ccc(OC)c(OCCN3CCCCC3)c2)C1=O
InChIInChI=1S/C26H31N3O4/c1-27-21-9-8-19(31-2)16-20(21)25-22(27)17-29(26(25)30)18-7-10-23(32-3)24(15-18)33-14-13-28-11-5-4-6-12-28/h7-10,15-16H,4-6,11-14,17H2,1-3H3
InChIKeyXOSWZTBZHAOGQX-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.22
Rot. Bonds7

About 7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one

7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one (PubChem CID 10368126) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one.

Molecular Properties

Compound Name7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one
PubChem CID10368126
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one
SMILESCOc1ccc2c(c1)c1c(n2C)CN(c2ccc(OC)c(OCCN3CCCCC3)c2)C1=O
InChIInChI=1S/C26H31N3O4/c1-27-21-9-8-19(31-2)16-20(21)25-22(27)17-29(26(25)30)18-7-10-23(32-3)24(15-18)33-14-13-28-11-5-4-6-12-28/h7-10,15-16H,4-6,11-14,17H2,1-3H3
InChIKeyXOSWZTBZHAOGQX-UHFFFAOYSA-N
XLogP4.22
TPSA56.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one?
The IUPAC name of 7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one (CID 10368126) is 7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one.
What is the SMILES notation for 7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one?
The canonical SMILES for 7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one is COc1ccc2c(c1)c1c(n2C)CN(c2ccc(OC)c(OCCN3CCCCC3)c2)C1=O.
What is the InChIKey of 7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one?
The InChIKey is XOSWZTBZHAOGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-27-21-9-8-19(31-2)16-20(21)25-22(27)17-29(26(25)30)18-7-10-23(32-3)24(15-18)33-14-13-28-11-5-4-6-12-28/h7-10,15-16H,4-6,11-14,17H2,1-3H3.
What are the key properties of 7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one?
7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one has a molecular weight of 449.55 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one is sourced from PubChem (CID 10368126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).