1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

C46H36Cl2F2N8O2S — CID 123586683

IUPAC1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cncc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c1.O=S(=O)(c1ccccc1)n1cc(Cc2ccc(CCc3cncc(F)c3)nc2)c2cc(Cl)cnc21
InChIInChI=1S/C26H20ClFN4O2S.C20H16ClFN4/c27-21-12-25-20(17-32(26(25)31-15-21)35(33,34)24-4-2-1-3-5-24)10-18-6-8-23(30-14-18)9-7-19-11-22(28)16-29-13-19;21-16-7-19-15(10-25-20(19)26-11-16)5-13-1-3-18(24-9-13)4-2-14-6-17(22)12-23-8-14/h1-6,8,11-17H,7,9-10H2;1,3,6-12H,2,4-5H2,(H,25,26)
InChIKeyGTUPZCLJVZADQR-UHFFFAOYSA-N
MW873.82 g/mol
LogP9.75
Rot. Bonds12

About 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 123586683) has the molecular formula C46H36Cl2F2N8O2S and a molecular weight of 873.82 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID123586683
Molecular FormulaC46H36Cl2F2N8O2S
Molecular Weight873.82 g/mol
Exact Mass872.20
IUPAC Name1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cncc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c1.O=S(=O)(c1ccccc1)n1cc(Cc2ccc(CCc3cncc(F)c3)nc2)c2cc(Cl)cnc21
InChIInChI=1S/C26H20ClFN4O2S.C20H16ClFN4/c27-21-12-25-20(17-32(26(25)31-15-21)35(33,34)24-4-2-1-3-5-24)10-18-6-8-23(30-14-18)9-7-19-11-22(28)16-29-13-19;21-16-7-19-15(10-25-20(19)26-11-16)5-13-1-3-18(24-9-13)4-2-14-6-17(22)12-23-8-14/h1-6,8,11-17H,7,9-10H2;1,3,6-12H,2,4-5H2,(H,25,26)
InChIKeyGTUPZCLJVZADQR-UHFFFAOYSA-N
XLogP9.75
TPSA132.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.82
LogP ≤ 59.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

N-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl]benzenesulphonamide
CID 23652981
N-[2-chloro-5-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461671
Benzenesulfonamide, N-[2-chloro-5-[3-(4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-4-fluoro-
CID 145977475
N-[2-chloro-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide
CID 145966764
N-[2-chloro-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 145973569
N-[2-chloro-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461655
N-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461658
N-[2-chloro-5-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461659
4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,3-dimethylbenzenesulfonamide
CID 118729992
N-benzyl-6-[5-chloro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine
CID 86292239
5-chloro-N-[(3-fluorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
CID 86294330
5-chloro-N-[(2,5-difluorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
CID 86294531

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 123586683) is 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is Fc1cncc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c1.O=S(=O)(c1ccccc1)n1cc(Cc2ccc(CCc3cncc(F)c3)nc2)c2cc(Cl)cnc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GTUPZCLJVZADQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN4O2S.C20H16ClFN4/c27-21-12-25-20(17-32(26(25)31-15-21)35(33,34)24-4-2-1-3-5-24)10-18-6-8-23(30-14-18)9-7-19-11-22(28)16-29-13-19;21-16-7-19-15(10-25-20(19)26-11-16)5-13-1-3-18(24-9-13)4-2-14-6-17(22)12-23-8-14/h1-6,8,11-17H,7,9-10H2;1,3,6-12H,2,4-5H2,(H,25,26).
What are the key properties of 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 873.82 g/mol, XLogP of 9.75, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 123586683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).