(3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine

C75H71F8N17O8S3 — CID 157274475

IUPAC(3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine
SMILESCCCS(=O)(=O)Cc1ccc(F)c(-n2cc(-c3cncnc3)c3nc(N(C)C4CCN(C)CC4)ccc32)c1F.Cc1ccc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)N5CC[C@@H](F)C5)c4F)c3c2)cn1.Cc1ncc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)N5CC[C@@H](F)C5)c4F)c3c2)cn1
InChIInChI=1S/C28H32F2N6O2S.C24H20F3N5O3S.C23H19F3N6O3S/c1-4-13-39(37,38)17-19-5-6-23(29)28(26(19)30)36-16-22(20-14-31-18-32-15-20)27-24(36)7-8-25(33-27)35(3)21-9-11-34(2)12-10-21;1-13-2-3-14(9-28-13)15-8-17-18(11-30-24(17)29-10-15)23(33)21-19(26)4-5-20(22(21)27)31-36(34,35)32-7-6-16(25)12-32;1-12-27-8-14(9-28-12)13-6-16-17(10-30-23(16)29-7-13)22(33)20-18(25)2-3-19(21(20)26)31-36(34,35)32-5-4-15(24)11-32/h5-8,14-16,18,21H,4,9-13,17H2,1-3H3;2-5,8-11,16,31H,6-7,12H2,1H3,(H,29,30);2-3,6-10,15,31H,4-5,11H2,1H3,(H,29,30)/t;16-;15-/m.11/s1
InChIKeyAYXUFCGZPOEKQD-MGKWHYSWSA-N
MW1586.69 g/mol
LogP12.30
Rot. Bonds20

About (3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine

(3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine (PubChem CID 157274475) has the molecular formula C75H71F8N17O8S3 and a molecular weight of 1586.69 g/mol. Its IUPAC name is (3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine.

Molecular Properties

Compound Name(3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine
PubChem CID157274475
Molecular FormulaC75H71F8N17O8S3
Molecular Weight1586.69 g/mol
Exact Mass1585.47
IUPAC Name(3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine
SMILESCCCS(=O)(=O)Cc1ccc(F)c(-n2cc(-c3cncnc3)c3nc(N(C)C4CCN(C)CC4)ccc32)c1F.Cc1ccc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)N5CC[C@@H](F)C5)c4F)c3c2)cn1.Cc1ncc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)N5CC[C@@H](F)C5)c4F)c3c2)cn1
InChIInChI=1S/C28H32F2N6O2S.C24H20F3N5O3S.C23H19F3N6O3S/c1-4-13-39(37,38)17-19-5-6-23(29)28(26(19)30)36-16-22(20-14-31-18-32-15-20)27-24(36)7-8-25(33-27)35(3)21-9-11-34(2)12-10-21;1-13-2-3-14(9-28-13)15-8-17-18(11-30-24(17)29-10-15)23(33)21-19(26)4-5-20(22(21)27)31-36(34,35)32-7-6-16(25)12-32;1-12-27-8-14(9-28-12)13-6-16-17(10-30-23(16)29-7-13)22(33)20-18(25)2-3-19(21(20)26)31-36(34,35)32-5-4-15(24)11-32/h5-8,14-16,18,21H,4,9-13,17H2,1-3H3;2-5,8-11,16,31H,6-7,12H2,1H3,(H,29,30);2-3,6-10,15,31H,4-5,11H2,1H3,(H,29,30)/t;16-;15-/m.11/s1
InChIKeyAYXUFCGZPOEKQD-MGKWHYSWSA-N
XLogP12.30
TPSA313.21 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001586.69
LogP ≤ 512.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze (3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine with MolForge

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Related Compounds

PNAtar-penetratin
CID 16134044
N-[2,4-difluoro-3-[5-(2-imidazol-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 53261661
N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide
CID 58368777
N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
CID 58368779
N-[2,4-difluoro-3-[5-(5-imidazol-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 58368827
N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 58368829
N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
CID 58368845
N-[3-[5-(1,5-dimethylimidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 66647089
N-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 67301003
N-[2,4-difluoro-3-(5-imidazo[1,2-a]pyridin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfinamide
CID 123474962
N-[2,4-difluoro-3-[5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfinamide
CID 123553363
N-[2,4-difluoro-3-[5-[2-(4-methylimidazol-1-yl)-2,5-dihydro-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide
CID 123616042

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine?
The IUPAC name of (3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine (CID 157274475) is (3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine.
What is the SMILES notation for (3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine?
The canonical SMILES for (3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine is CCCS(=O)(=O)Cc1ccc(F)c(-n2cc(-c3cncnc3)c3nc(N(C)C4CCN(C)CC4)ccc32)c1F.Cc1ccc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)N5CC[C@@H](F)C5)c4F)c3c2)cn1.Cc1ncc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)N5CC[C@@H](F)C5)c4F)c3c2)cn1.
What is the InChIKey of (3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine?
The InChIKey is AYXUFCGZPOEKQD-MGKWHYSWSA-N. The full InChI is InChI=1S/C28H32F2N6O2S.C24H20F3N5O3S.C23H19F3N6O3S/c1-4-13-39(37,38)17-19-5-6-23(29)28(26(19)30)36-16-22(20-14-31-18-32-15-20)27-24(36)7-8-25(33-27)35(3)21-9-11-34(2)12-10-21;1-13-2-3-14(9-28-13)15-8-17-18(11-30-24(17)29-10-15)23(33)21-19(26)4-5-20(22(21)27)31-36(34,35)32-7-6-16(25)12-32;1-12-27-8-14(9-28-12)13-6-16-17(10-30-23(16)29-7-13)22(33)20-18(25)2-3-19(21(20)26)31-36(34,35)32-5-4-15(24)11-32/h5-8,14-16,18,21H,4,9-13,17H2,1-3H3;2-5,8-11,16,31H,6-7,12H2,1H3,(H,29,30);2-3,6-10,15,31H,4-5,11H2,1H3,(H,29,30)/t;16-;15-/m.11/s1.
What are the key properties of (3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine?
(3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine has a molecular weight of 1586.69 g/mol, XLogP of 12.30, 20 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine is sourced from PubChem (CID 157274475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).