2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile

C18H14FN3O — CID 23207151

IUPAC2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile
SMILESCc1nc2n(CC(=O)c3ccc(F)cc3)cccc-2c1CC#N
InChIInChI=1S/C18H14FN3O/c1-12-15(8-9-20)16-3-2-10-22(18(16)21-12)11-17(23)13-4-6-14(19)7-5-13/h2-7,10H,8,11H2,1H3
InChIKeyNGNRXUQVCZIRHP-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.38
Rot. Bonds4

About 2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile

2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile (PubChem CID 23207151) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile
PubChem CID23207151
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile
SMILESCc1nc2n(CC(=O)c3ccc(F)cc3)cccc-2c1CC#N
InChIInChI=1S/C18H14FN3O/c1-12-15(8-9-20)16-3-2-10-22(18(16)21-12)11-17(23)13-4-6-14(19)7-5-13/h2-7,10H,8,11H2,1H3
InChIKeyNGNRXUQVCZIRHP-UHFFFAOYSA-N
XLogP3.38
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile 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 2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile (CID 23207151) is 2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile is Cc1nc2n(CC(=O)c3ccc(F)cc3)cccc-2c1CC#N.
What is the InChIKey of 2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile?
The InChIKey is NGNRXUQVCZIRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c1-12-15(8-9-20)16-3-2-10-22(18(16)21-12)11-17(23)13-4-6-14(19)7-5-13/h2-7,10H,8,11H2,1H3.
What are the key properties of 2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile?
2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile has a molecular weight of 307.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 23207151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).