1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride

C19H20ClF2N3 — CID 118741712

IUPAC1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride
SMILESCl.Fc1cccc(F)c1Cn1c(C2CCNCC2)cc2cccnc21
InChIInChI=1S/C19H19F2N3.ClH/c20-16-4-1-5-17(21)15(16)12-24-18(13-6-9-22-10-7-13)11-14-3-2-8-23-19(14)24;/h1-5,8,11,13,22H,6-7,9-10,12H2;1H
InChIKeyYHBCFKHAQZQCKM-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.25
Rot. Bonds3

About 1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride

1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride (PubChem CID 118741712) has the molecular formula C19H20ClF2N3 and a molecular weight of 363.84 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride
PubChem CID118741712
Molecular FormulaC19H20ClF2N3
Molecular Weight363.84 g/mol
Exact Mass363.13
IUPAC Name1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride
SMILESCl.Fc1cccc(F)c1Cn1c(C2CCNCC2)cc2cccnc21
InChIInChI=1S/C19H19F2N3.ClH/c20-16-4-1-5-17(21)15(16)12-24-18(13-6-9-22-10-7-13)11-14-3-2-8-23-19(14)24;/h1-5,8,11,13,22H,6-7,9-10,12H2;1H
InChIKeyYHBCFKHAQZQCKM-UHFFFAOYSA-N
XLogP4.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride 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-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride (CID 118741712) is 1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride is Cl.Fc1cccc(F)c1Cn1c(C2CCNCC2)cc2cccnc21.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride?
The InChIKey is YHBCFKHAQZQCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3.ClH/c20-16-4-1-5-17(21)15(16)12-24-18(13-6-9-22-10-7-13)11-14-3-2-8-23-19(14)24;/h1-5,8,11,13,22H,6-7,9-10,12H2;1H.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride?
1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride has a molecular weight of 363.84 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride is sourced from PubChem (CID 118741712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).