[1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol

C21H19N3O2 — CID 118714139

IUPAC[1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccccc3)c3ncccc23)cn1
InChIInChI=1S/C21H19N3O2/c1-26-19-10-9-16(12-23-19)20-17-8-5-11-22-21(17)24(18(20)14-25)13-15-6-3-2-4-7-15/h2-12,25H,13-14H2,1H3
InChIKeyBYFSTSZODBRJDY-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.65
Rot. Bonds5

About [1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol

[1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol (PubChem CID 118714139) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is [1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
PubChem CID118714139
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name[1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccccc3)c3ncccc23)cn1
InChIInChI=1S/C21H19N3O2/c1-26-19-10-9-16(12-23-19)20-17-8-5-11-22-21(17)24(18(20)14-25)13-15-6-3-2-4-7-15/h2-12,25H,13-14H2,1H3
InChIKeyBYFSTSZODBRJDY-UHFFFAOYSA-N
XLogP3.65
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of [1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol (CID 118714139) is [1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for [1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for [1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol is COc1ccc(-c2c(CO)n(Cc3ccccc3)c3ncccc23)cn1.
What is the InChIKey of [1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
The InChIKey is BYFSTSZODBRJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-19-10-9-16(12-23-19)20-17-8-5-11-22-21(17)24(18(20)14-25)13-15-6-3-2-4-7-15/h2-12,25H,13-14H2,1H3.
What are the key properties of [1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
[1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol has a molecular weight of 345.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 118714139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).