[5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol

C17H19N3O — CID 166613761

IUPAC[5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol
SMILESCN(C)Cc1ccc(-c2ccnc3[nH]ccc23)c(CO)c1
InChIInChI=1S/C17H19N3O/c1-20(2)10-12-3-4-14(13(9-12)11-21)15-5-7-18-17-16(15)6-8-19-17/h3-9,21H,10-11H2,1-2H3,(H,18,19)
InChIKeyWCJGLXFHOFIGFA-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.78
Rot. Bonds4

About [5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol

[5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol (PubChem CID 166613761) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol
PubChem CID166613761
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol
SMILESCN(C)Cc1ccc(-c2ccnc3[nH]ccc23)c(CO)c1
InChIInChI=1S/C17H19N3O/c1-20(2)10-12-3-4-14(13(9-12)11-21)15-5-7-18-17-16(15)6-8-19-17/h3-9,21H,10-11H2,1-2H3,(H,18,19)
InChIKeyWCJGLXFHOFIGFA-UHFFFAOYSA-N
XLogP2.78
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol?
The IUPAC name of [5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol (CID 166613761) is [5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol.
What is the SMILES notation for [5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol?
The canonical SMILES for [5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol is CN(C)Cc1ccc(-c2ccnc3[nH]ccc23)c(CO)c1.
What is the InChIKey of [5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol?
The InChIKey is WCJGLXFHOFIGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-20(2)10-12-3-4-14(13(9-12)11-21)15-5-7-18-17-16(15)6-8-19-17/h3-9,21H,10-11H2,1-2H3,(H,18,19).
What are the key properties of [5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol?
[5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol has a molecular weight of 281.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol is sourced from PubChem (CID 166613761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).