2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride

C25H16ClF3N4O2 — CID 131726246

IUPAC2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Oc2ccnc3[nH]c(-c4cccnc4)cc23)c(F)c1)c1c(F)cccc1F
InChIInChI=1S/C25H15F3N4O2.ClH/c26-17-4-1-5-18(27)23(17)25(33)31-15-6-7-22(19(28)11-15)34-21-8-10-30-24-16(21)12-20(32-24)14-3-2-9-29-13-14;/h1-13H,(H,30,32)(H,31,33);1H
InChIKeyONUITKCEMJUQBK-UHFFFAOYSA-N
MW496.88 g/mol
LogP6.51
Rot. Bonds5

About 2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride

2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride (PubChem CID 131726246) has the molecular formula C25H16ClF3N4O2 and a molecular weight of 496.88 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride
PubChem CID131726246
Molecular FormulaC25H16ClF3N4O2
Molecular Weight496.88 g/mol
Exact Mass496.09
IUPAC Name2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Oc2ccnc3[nH]c(-c4cccnc4)cc23)c(F)c1)c1c(F)cccc1F
InChIInChI=1S/C25H15F3N4O2.ClH/c26-17-4-1-5-18(27)23(17)25(33)31-15-6-7-22(19(28)11-15)34-21-8-10-30-24-16(21)12-20(32-24)14-3-2-9-29-13-14;/h1-13H,(H,30,32)(H,31,33);1H
InChIKeyONUITKCEMJUQBK-UHFFFAOYSA-N
XLogP6.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.88
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-N-(4-fluorophenyl)-N'-[3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2-[1-(methylamino)ethylidene]propanediamide
CID 143976012
N'-[3-fluoro-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(4-fluorophenyl)propanediamide;hydrochloride
CID 131726247
N'-[3-fluoro-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(4-fluorophenyl)propanediamide
CID 58799048
4-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-pyridin-3-ylpyrimidine-2,4-diamine
CID 177372804
N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 55868418
cis-(1S,2R)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-pyridin-3-ylcyclopropane-1,2-dicarboxamide
CID 178037513
3-N'-[3-fluoro-4-[[2-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-N-(4-fluorophenyl)oxetane-3,3-dicarboxamide
CID 71286798
N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide
CID 58799072
2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 134134169
N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
CID 26212684
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-(propylamino)acetamide
CID 59819825
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride?
The IUPAC name of 2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride (CID 131726246) is 2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride?
The canonical SMILES for 2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride is Cl.O=C(Nc1ccc(Oc2ccnc3[nH]c(-c4cccnc4)cc23)c(F)c1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride?
The InChIKey is ONUITKCEMJUQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F3N4O2.ClH/c26-17-4-1-5-18(27)23(17)25(33)31-15-6-7-22(19(28)11-15)34-21-8-10-30-24-16(21)12-20(32-24)14-3-2-9-29-13-14;/h1-13H,(H,30,32)(H,31,33);1H.
What are the key properties of 2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride?
2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride has a molecular weight of 496.88 g/mol, XLogP of 6.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-fluoro-4-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 131726246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).