3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine

C20H21F2N3O — CID 146333330

IUPAC3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCC1(COc2ccnc3[nH]cc(-c4ccc(F)cc4F)c23)CCNCC1
InChIInChI=1S/C20H21F2N3O/c1-20(5-8-23-9-6-20)12-26-17-4-7-24-19-18(17)15(11-25-19)14-3-2-13(21)10-16(14)22/h2-4,7,10-11,23H,5-6,8-9,12H2,1H3,(H,24,25)
InChIKeyZFIJQCAQLMBBFF-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.28
Rot. Bonds4

About 3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine

3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 146333330) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
PubChem CID146333330
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC Name3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCC1(COc2ccnc3[nH]cc(-c4ccc(F)cc4F)c23)CCNCC1
InChIInChI=1S/C20H21F2N3O/c1-20(5-8-23-9-6-20)12-26-17-4-7-24-19-18(17)15(11-25-19)14-3-2-13(21)10-16(14)22/h2-4,7,10-11,23H,5-6,8-9,12H2,1H3,(H,24,25)
InChIKeyZFIJQCAQLMBBFF-UHFFFAOYSA-N
XLogP4.28
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine 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 3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine (CID 146333330) is 3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine is CC1(COc2ccnc3[nH]cc(-c4ccc(F)cc4F)c23)CCNCC1.
What is the InChIKey of 3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZFIJQCAQLMBBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c1-20(5-8-23-9-6-20)12-26-17-4-7-24-19-18(17)15(11-25-19)14-3-2-13(21)10-16(14)22/h2-4,7,10-11,23H,5-6,8-9,12H2,1H3,(H,24,25).
What are the key properties of 3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 357.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 146333330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).