2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine

C18H17N3O2 — CID 22477349

IUPAC2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc2c(-c3cc4cccnc4[nH]3)cn(C)c2cc1OC
InChIInChI=1S/C18H17N3O2/c1-21-10-13(14-7-11-5-4-6-19-18(11)20-14)12-8-16(22-2)17(23-3)9-15(12)21/h4-10H,1-3H3,(H,19,20)
InChIKeyGZRCWJUTTURNJO-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.74
Rot. Bonds3

About 2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine

2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 22477349) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID22477349
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc2c(-c3cc4cccnc4[nH]3)cn(C)c2cc1OC
InChIInChI=1S/C18H17N3O2/c1-21-10-13(14-7-11-5-4-6-19-18(11)20-14)12-8-16(22-2)17(23-3)9-15(12)21/h4-10H,1-3H3,(H,19,20)
InChIKeyGZRCWJUTTURNJO-UHFFFAOYSA-N
XLogP3.74
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 22477349) is 2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine is COc1cc2c(-c3cc4cccnc4[nH]3)cn(C)c2cc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GZRCWJUTTURNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21-10-13(14-7-11-5-4-6-19-18(11)20-14)12-8-16(22-2)17(23-3)9-15(12)21/h4-10H,1-3H3,(H,19,20).
What are the key properties of 2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 307.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 22477349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).