[1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

C17H18N2O — CID 66414898

IUPAC[1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCc1ccc(Cn2cc(CO)c3cccnc32)cc1C
InChIInChI=1S/C17H18N2O/c1-12-5-6-14(8-13(12)2)9-19-10-15(11-20)16-4-3-7-18-17(16)19/h3-8,10,20H,9,11H2,1-2H3
InChIKeyLOSBFETYIPVXTP-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.19
Rot. Bonds3

About [1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

[1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 66414898) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is [1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID66414898
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name[1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCc1ccc(Cn2cc(CO)c3cccnc32)cc1C
InChIInChI=1S/C17H18N2O/c1-12-5-6-14(8-13(12)2)9-19-10-15(11-20)16-4-3-7-18-17(16)19/h3-8,10,20H,9,11H2,1-2H3
InChIKeyLOSBFETYIPVXTP-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(3,4-dimethylphenyl)methyl]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-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 66414898) is [1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is Cc1ccc(Cn2cc(CO)c3cccnc32)cc1C.
What is the InChIKey of [1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is LOSBFETYIPVXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-5-6-14(8-13(12)2)9-19-10-15(11-20)16-4-3-7-18-17(16)19/h3-8,10,20H,9,11H2,1-2H3.
What are the key properties of [1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 266.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 66414898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).