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

C21H18BrN3O2 — CID 118714143

IUPAC[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3cccc(Br)c3)c3ncccc23)cn1
InChIInChI=1S/C21H18BrN3O2/c1-27-19-8-7-15(11-24-19)20-17-6-3-9-23-21(17)25(18(20)13-26)12-14-4-2-5-16(22)10-14/h2-11,26H,12-13H2,1H3
InChIKeyDIEBXJLHHFQNFH-UHFFFAOYSA-N
MW424.30 g/mol
LogP4.41
Rot. Bonds5

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

[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol (PubChem CID 118714143) has the molecular formula C21H18BrN3O2 and a molecular weight of 424.30 g/mol. Its IUPAC name is [1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
PubChem CID118714143
Molecular FormulaC21H18BrN3O2
Molecular Weight424.30 g/mol
Exact Mass423.06
IUPAC Name[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3cccc(Br)c3)c3ncccc23)cn1
InChIInChI=1S/C21H18BrN3O2/c1-27-19-8-7-15(11-24-19)20-17-6-3-9-23-21(17)25(18(20)13-26)12-14-4-2-5-16(22)10-14/h2-11,26H,12-13H2,1H3
InChIKeyDIEBXJLHHFQNFH-UHFFFAOYSA-N
XLogP4.41
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.30
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of [1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol (CID 118714143) is [1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for [1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for [1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol is COc1ccc(-c2c(CO)n(Cc3cccc(Br)c3)c3ncccc23)cn1.
What is the InChIKey of [1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
The InChIKey is DIEBXJLHHFQNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O2/c1-27-19-8-7-15(11-24-19)20-17-6-3-9-23-21(17)25(18(20)13-26)12-14-4-2-5-16(22)10-14/h2-11,26H,12-13H2,1H3.
What are the key properties of [1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol has a molecular weight of 424.30 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 118714143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).