[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol

C17H16F2N2O — CID 71235003

IUPAC[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol
SMILESCc1nc2c(ccn2Cc2ccc(F)c(F)c2)c(C)c1CO
InChIInChI=1S/C17H16F2N2O/c1-10-13-5-6-21(17(13)20-11(2)14(10)9-22)8-12-3-4-15(18)16(19)7-12/h3-7,22H,8-9H2,1-2H3
InChIKeyVRSZVAAOBDJOPR-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.47
Rot. Bonds3

About [1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol

[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol (PubChem CID 71235003) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is [1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol
PubChem CID71235003
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol
SMILESCc1nc2c(ccn2Cc2ccc(F)c(F)c2)c(C)c1CO
InChIInChI=1S/C17H16F2N2O/c1-10-13-5-6-21(17(13)20-11(2)14(10)9-22)8-12-3-4-15(18)16(19)7-12/h3-7,22H,8-9H2,1-2H3
InChIKeyVRSZVAAOBDJOPR-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-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-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol?
The IUPAC name of [1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol (CID 71235003) is [1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol.
What is the SMILES notation for [1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol?
The canonical SMILES for [1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol is Cc1nc2c(ccn2Cc2ccc(F)c(F)c2)c(C)c1CO.
What is the InChIKey of [1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol?
The InChIKey is VRSZVAAOBDJOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O/c1-10-13-5-6-21(17(13)20-11(2)14(10)9-22)8-12-3-4-15(18)16(19)7-12/h3-7,22H,8-9H2,1-2H3.
What are the key properties of [1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol?
[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol has a molecular weight of 302.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]methanol is sourced from PubChem (CID 71235003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).