(1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone

C18H18N2O2 — CID 164867631

IUPAC(1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone
SMILESCCc1c(C(=O)c2ccc(O)cc2)c2ccncc2n1CC
InChIInChI=1S/C18H18N2O2/c1-3-15-17(18(22)12-5-7-13(21)8-6-12)14-9-10-19-11-16(14)20(15)4-2/h5-11,21H,3-4H2,1-2H3
InChIKeyCIYKEDLXDWMYIP-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.56
Rot. Bonds4

About (1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone

(1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone (PubChem CID 164867631) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone
PubChem CID164867631
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone
SMILESCCc1c(C(=O)c2ccc(O)cc2)c2ccncc2n1CC
InChIInChI=1S/C18H18N2O2/c1-3-15-17(18(22)12-5-7-13(21)8-6-12)14-9-10-19-11-16(14)20(15)4-2/h5-11,21H,3-4H2,1-2H3
InChIKeyCIYKEDLXDWMYIP-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone 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-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone (CID 164867631) is (1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone is CCc1c(C(=O)c2ccc(O)cc2)c2ccncc2n1CC.
What is the InChIKey of (1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is CIYKEDLXDWMYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-15-17(18(22)12-5-7-13(21)8-6-12)14-9-10-19-11-16(14)20(15)4-2/h5-11,21H,3-4H2,1-2H3.
What are the key properties of (1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone?
(1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 294.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-diethylpyrrolo[2,3-c]pyridin-3-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 164867631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).