[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

C12H17N3O — CID 66415275

IUPAC[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCN(C)CCn1cc(CO)c2cccnc21
InChIInChI=1S/C12H17N3O/c1-14(2)6-7-15-8-10(9-16)11-4-3-5-13-12(11)15/h3-5,8,16H,6-7,9H2,1-2H3
InChIKeySXYXJEFDIVODGI-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.09
Rot. Bonds4

About [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 66415275) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID66415275
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCN(C)CCn1cc(CO)c2cccnc21
InChIInChI=1S/C12H17N3O/c1-14(2)6-7-15-8-10(9-16)11-4-3-5-13-12(11)15/h3-5,8,16H,6-7,9H2,1-2H3
InChIKeySXYXJEFDIVODGI-UHFFFAOYSA-N
XLogP1.09
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 66415275) is [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is CN(C)CCn1cc(CO)c2cccnc21.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is SXYXJEFDIVODGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14(2)6-7-15-8-10(9-16)11-4-3-5-13-12(11)15/h3-5,8,16H,6-7,9H2,1-2H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 219.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 66415275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).