3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine

C44H39ClF2N6O4S2 — CID 158560271

IUPAC3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
SMILESCN(C)S(=O)(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(F)c4Cl)c3c2)c1.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(CN4CCOCC4)s3)cc12
InChIInChI=1S/C23H22FN3O2S.C21H17ClFN3O2S/c1-28-22-17(3-2-4-20(22)24)19-13-26-23-18(19)11-15(12-25-23)21-6-5-16(30-21)14-27-7-9-29-10-8-27;1-26(2)29(27,28)15-6-3-5-13(9-15)14-10-17-18(12-25-21(17)24-11-14)16-7-4-8-19(23)20(16)22/h2-6,11-13H,7-10,14H2,1H3,(H,25,26);3-12H,1-2H3,(H,24,25)
InChIKeyHQUIENLIDNOFHZ-UHFFFAOYSA-N
MW853.42 g/mol
LogP9.88
Rot. Bonds9

About 3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine

3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine (PubChem CID 158560271) has the molecular formula C44H39ClF2N6O4S2 and a molecular weight of 853.42 g/mol. Its IUPAC name is 3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine.

Molecular Properties

Compound Name3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
PubChem CID158560271
Molecular FormulaC44H39ClF2N6O4S2
Molecular Weight853.42 g/mol
Exact Mass852.21
IUPAC Name3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
SMILESCN(C)S(=O)(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(F)c4Cl)c3c2)c1.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(CN4CCOCC4)s3)cc12
InChIInChI=1S/C23H22FN3O2S.C21H17ClFN3O2S/c1-28-22-17(3-2-4-20(22)24)19-13-26-23-18(19)11-15(12-25-23)21-6-5-16(30-21)14-27-7-9-29-10-8-27;1-26(2)29(27,28)15-6-3-5-13(9-15)14-10-17-18(12-25-21(17)24-11-14)16-7-4-8-19(23)20(16)22/h2-6,11-13H,7-10,14H2,1H3,(H,25,26);3-12H,1-2H3,(H,24,25)
InChIKeyHQUIENLIDNOFHZ-UHFFFAOYSA-N
XLogP9.88
TPSA116.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.42
LogP ≤ 59.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine with MolForge

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Related Compounds

4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
CID 76282434
4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine
CID 76282435
5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 90226214
4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
CID 90226218
4-[[5-[3-(3-Fluoro-2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
CID 90226266
5-(5-Chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 90226267
4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine
CID 90226279
4-[[5-[3-(3,5-Difluoro-2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
CID 90226349
5-(5-Chlorothiophen-2-yl)-3-(3-fluoro-2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 90226385
4-[5-[3-(3,5-Difluoro-2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine
CID 90398756
3-(4-chloro-2-fluorophenyl)-4-thiophen-3-yl-5-[2-[2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenoxy]ethyl]-1H-pyrrolo[2,3-b]pyridine
CID 134443577
[3-fluoro-4-methoxy-5-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]phosphane
CID 146342686

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine?
The IUPAC name of 3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine (CID 158560271) is 3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine.
What is the SMILES notation for 3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine?
The canonical SMILES for 3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine is CN(C)S(=O)(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(F)c4Cl)c3c2)c1.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(CN4CCOCC4)s3)cc12.
What is the InChIKey of 3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine?
The InChIKey is HQUIENLIDNOFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2S.C21H17ClFN3O2S/c1-28-22-17(3-2-4-20(22)24)19-13-26-23-18(19)11-15(12-25-23)21-6-5-16(30-21)14-27-7-9-29-10-8-27;1-26(2)29(27,28)15-6-3-5-13(9-15)14-10-17-18(12-25-21(17)24-11-14)16-7-4-8-19(23)20(16)22/h2-6,11-13H,7-10,14H2,1H3,(H,25,26);3-12H,1-2H3,(H,24,25).
What are the key properties of 3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine?
3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine has a molecular weight of 853.42 g/mol, XLogP of 9.88, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine is sourced from PubChem (CID 158560271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).