[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone

C75H55Cl3F3N9O7S2 — CID 123479910

IUPAC[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(CCc2ccccc2F)nc1)c1c[nH]c2ncc(Cl)cc12.O=C(c1ccc(CCc2ccccc2F)nc1)c1cn(S(=O)(=O)c2ccccc2)c2ncc(Cl)cc12.O=S(=O)(c1ccccc1)n1cc(C(O)c2ccc(CCc3ccccc3F)nc2)c2cc(Cl)cnc21
InChIInChI=1S/C27H21ClFN3O3S.C27H19ClFN3O3S.C21H15ClFN3O/c2*28-20-14-23-24(17-32(27(23)31-16-20)36(34,35)22-7-2-1-3-8-22)26(33)19-11-13-21(30-15-19)12-10-18-6-4-5-9-25(18)29;22-15-9-17-18(12-26-21(17)25-11-15)20(27)14-6-8-16(24-10-14)7-5-13-3-1-2-4-19(13)23/h1-9,11,13-17,26,33H,10,12H2;1-9,11,13-17H,10,12H2;1-4,6,8-12H,5,7H2,(H,25,26)
InChIKeyGDCABTSDOZYJPC-UHFFFAOYSA-N
MW1421.81 g/mol
LogP15.57
Rot. Bonds19

About [1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone

[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone (PubChem CID 123479910) has the molecular formula C75H55Cl3F3N9O7S2 and a molecular weight of 1421.81 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone
PubChem CID123479910
Molecular FormulaC75H55Cl3F3N9O7S2
Molecular Weight1421.81 g/mol
Exact Mass1419.27
IUPAC Name[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(CCc2ccccc2F)nc1)c1c[nH]c2ncc(Cl)cc12.O=C(c1ccc(CCc2ccccc2F)nc1)c1cn(S(=O)(=O)c2ccccc2)c2ncc(Cl)cc12.O=S(=O)(c1ccccc1)n1cc(C(O)c2ccc(CCc3ccccc3F)nc2)c2cc(Cl)cnc21
InChIInChI=1S/C27H21ClFN3O3S.C27H19ClFN3O3S.C21H15ClFN3O/c2*28-20-14-23-24(17-32(27(23)31-16-20)36(34,35)22-7-2-1-3-8-22)26(33)19-11-13-21(30-15-19)12-10-18-6-4-5-9-25(18)29;22-15-9-17-18(12-26-21(17)25-11-15)20(27)14-6-8-16(24-10-14)7-5-13-3-1-2-4-19(13)23/h1-9,11,13-17,26,33H,10,12H2;1-9,11,13-17H,10,12H2;1-4,6,8-12H,5,7H2,(H,25,26)
InChIKeyGDCABTSDOZYJPC-UHFFFAOYSA-N
XLogP15.57
TPSA225.64 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001421.81
LogP ≤ 515.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze [1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone with MolForge

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Related Compounds

4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-(methoxymethyl)-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane
CID 157446752
4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-(methoxymethyl)-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 157545407
N-(2-fluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;7H-pyrrolo[2,3-d]pyrimidine
CID 158764109
(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine
CID 158927257
N-[5-chloro-2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 159408343
N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium
CID 159480546
4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(1,1-difluoroethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[5-chloro-2-(6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159509111
magnesium;4-chloro-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium;cyclopropane;4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidine;N-[3-(4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;bromide
CID 159513489
N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1,5-dihydropyrrolo[2,3-b]pyridin-5-ylium-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride
CID 159715762
N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride
CID 159789324
4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(1,1-difluoroethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[5-chloro-2-(6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 160064830
4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 160301587

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone?
The IUPAC name of [1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone (CID 123479910) is [1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone?
The canonical SMILES for [1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone is O=C(c1ccc(CCc2ccccc2F)nc1)c1c[nH]c2ncc(Cl)cc12.O=C(c1ccc(CCc2ccccc2F)nc1)c1cn(S(=O)(=O)c2ccccc2)c2ncc(Cl)cc12.O=S(=O)(c1ccccc1)n1cc(C(O)c2ccc(CCc3ccccc3F)nc2)c2cc(Cl)cnc21.
What is the InChIKey of [1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone?
The InChIKey is GDCABTSDOZYJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClFN3O3S.C27H19ClFN3O3S.C21H15ClFN3O/c2*28-20-14-23-24(17-32(27(23)31-16-20)36(34,35)22-7-2-1-3-8-22)26(33)19-11-13-21(30-15-19)12-10-18-6-4-5-9-25(18)29;22-15-9-17-18(12-26-21(17)25-11-15)20(27)14-6-8-16(24-10-14)7-5-13-3-1-2-4-19(13)23/h1-9,11,13-17,26,33H,10,12H2;1-9,11,13-17H,10,12H2;1-4,6,8-12H,5,7H2,(H,25,26).
What are the key properties of [1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone?
[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone has a molecular weight of 1421.81 g/mol, XLogP of 15.57, 19 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone is sourced from PubChem (CID 123479910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).