N-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide

C193H157F37N44O24S8 — CID 167638448

IUPACN-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide
SMILESCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C5CC5)nc4)cc23)c1F.CCc1ncc(-c2cnc3[nH]cc(C(=O)c4ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c4F)c3c2)cn1.CN(C)c1ncc(-c2cnc3[nH]cc(C(=O)c4ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c4F)c3c2)cn1.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(C4CC4)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(CC4CC4)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(N4CCC4)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(N4CCCC4)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(N4CCCCC4)nc3)cc12
InChIInChI=1S/C26H23F5N6O3S.C25H21F5N6O3S.C25H20F5N5O3S.C24H19F5N6O3S.C24H18F5N5O3S.C23H19F5N6O3S.C23H18F5N5O3S.C23H19F2N5O3S/c27-20-5-4-17(21(28)22(20)36-41(39,40)9-6-26(29,30)31)23(38)19-14-33-24-18(19)10-15(11-32-24)16-12-34-25(35-13-16)37-7-2-1-3-8-37;26-19-4-3-16(20(27)21(19)35-40(38,39)8-5-25(28,29)30)22(37)18-13-32-23-17(18)9-14(10-31-23)15-11-33-24(34-12-15)36-6-1-2-7-36;26-19-4-3-16(21(27)22(19)35-39(37,38)6-5-25(28,29)30)23(36)18-12-34-24-17(18)8-14(9-33-24)15-10-31-20(32-11-15)7-13-1-2-13;25-18-3-2-15(19(26)20(18)34-39(37,38)7-4-24(27,28)29)21(36)17-12-31-22-16(17)8-13(9-30-22)14-10-32-23(33-11-14)35-5-1-6-35;25-18-4-3-15(19(26)20(18)34-38(36,37)6-5-24(27,28)29)21(35)17-11-33-23-16(17)7-13(8-32-23)14-9-30-22(31-10-14)12-1-2-12;1-34(2)22-31-9-13(10-32-22)12-7-15-16(11-30-21(15)29-8-12)20(35)14-3-4-17(24)19(18(14)25)33-38(36,37)6-5-23(26,27)28;1-2-18-29-9-13(10-30-18)12-7-15-16(11-32-22(15)31-8-12)21(34)14-3-4-17(24)20(19(14)25)33-37(35,36)6-5-23(26,27)28;1-2-34(32,33)30-20-18(24)6-5-15(19(20)25)21(31)17-11-29-23-16(17)7-13(8-28-23)14-9-26-22(27-10-14)12-3-4-12/h4-5,10-14,36H,1-3,6-9H2,(H,32,33);3-4,9-13,35H,1-2,5-8H2,(H,31,32);3-4,8-13,35H,1-2,5-7H2,(H,33,34);2-3,8-12,34H,1,4-7H2,(H,30,31);3-4,7-12,34H,1-2,5-6H2,(H,32,33);3-4,7-11,33H,5-6H2,1-2H3,(H,29,30);3-4,7-11,33H,2,5-6H2,1H3,(H,31,32);5-12,30H,2-4H2,1H3,(H,28,29)
InChIKeyOUWSOXACLRXAKF-UHFFFAOYSA-N
MW4436.13 g/mol
LogP37.99
Rot. Bonds64

About N-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide

N-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide (PubChem CID 167638448) has the molecular formula C193H157F37N44O24S8 and a molecular weight of 4436.13 g/mol. Its IUPAC name is N-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide
PubChem CID167638448
Molecular FormulaC193H157F37N44O24S8
Molecular Weight4436.13 g/mol
Exact Mass4432.96
IUPAC NameN-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide
SMILESCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C5CC5)nc4)cc23)c1F.CCc1ncc(-c2cnc3[nH]cc(C(=O)c4ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c4F)c3c2)cn1.CN(C)c1ncc(-c2cnc3[nH]cc(C(=O)c4ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c4F)c3c2)cn1.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(C4CC4)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(CC4CC4)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(N4CCC4)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(N4CCCC4)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(N4CCCCC4)nc3)cc12
InChIInChI=1S/C26H23F5N6O3S.C25H21F5N6O3S.C25H20F5N5O3S.C24H19F5N6O3S.C24H18F5N5O3S.C23H19F5N6O3S.C23H18F5N5O3S.C23H19F2N5O3S/c27-20-5-4-17(21(28)22(20)36-41(39,40)9-6-26(29,30)31)23(38)19-14-33-24-18(19)10-15(11-32-24)16-12-34-25(35-13-16)37-7-2-1-3-8-37;26-19-4-3-16(20(27)21(19)35-40(38,39)8-5-25(28,29)30)22(37)18-13-32-23-17(18)9-14(10-31-23)15-11-33-24(34-12-15)36-6-1-2-7-36;26-19-4-3-16(21(27)22(19)35-39(37,38)6-5-25(28,29)30)23(36)18-12-34-24-17(18)8-14(9-33-24)15-10-31-20(32-11-15)7-13-1-2-13;25-18-3-2-15(19(26)20(18)34-39(37,38)7-4-24(27,28)29)21(36)17-12-31-22-16(17)8-13(9-30-22)14-10-32-23(33-11-14)35-5-1-6-35;25-18-4-3-15(19(26)20(18)34-38(36,37)6-5-24(27,28)29)21(35)17-11-33-23-16(17)7-13(8-32-23)14-9-30-22(31-10-14)12-1-2-12;1-34(2)22-31-9-13(10-32-22)12-7-15-16(11-30-21(15)29-8-12)20(35)14-3-4-17(24)19(18(14)25)33-38(36,37)6-5-23(26,27)28;1-2-18-29-9-13(10-30-18)12-7-15-16(11-32-22(15)31-8-12)21(34)14-3-4-17(24)20(19(14)25)33-37(35,36)6-5-23(26,27)28;1-2-34(32,33)30-20-18(24)6-5-15(19(20)25)21(31)17-11-29-23-16(17)7-13(8-28-23)14-9-26-22(27-10-14)12-3-4-12/h4-5,10-14,36H,1-3,6-9H2,(H,32,33);3-4,9-13,35H,1-2,5-8H2,(H,31,32);3-4,8-13,35H,1-2,5-7H2,(H,33,34);2-3,8-12,34H,1,4-7H2,(H,30,31);3-4,7-12,34H,1-2,5-6H2,(H,32,33);3-4,7-11,33H,5-6H2,1-2H3,(H,29,30);3-4,7-11,33H,2,5-6H2,1H3,(H,31,32);5-12,30H,2-4H2,1H3,(H,28,29)
InChIKeyOUWSOXACLRXAKF-UHFFFAOYSA-N
XLogP37.99
TPSA954.56 Ų
H-Bond Donors16
H-Bond Acceptors52
Rotatable Bonds64
Heavy Atoms306
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004436.13
LogP ≤ 537.99
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1052

Analyze N-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide with MolForge

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What is the IUPAC name of N-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide?
The IUPAC name of N-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide (CID 167638448) is N-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide.
What is the SMILES notation for N-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide?
The canonical SMILES for N-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide is CCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C5CC5)nc4)cc23)c1F.CCc1ncc(-c2cnc3[nH]cc(C(=O)c4ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c4F)c3c2)cn1.CN(C)c1ncc(-c2cnc3[nH]cc(C(=O)c4ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c4F)c3c2)cn1.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(C4CC4)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(CC4CC4)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(N4CCC4)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(N4CCCC4)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(N4CCCCC4)nc3)cc12.
What is the InChIKey of N-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide?
The InChIKey is OUWSOXACLRXAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F5N6O3S.C25H21F5N6O3S.C25H20F5N5O3S.C24H19F5N6O3S.C24H18F5N5O3S.C23H19F5N6O3S.C23H18F5N5O3S.C23H19F2N5O3S/c27-20-5-4-17(21(28)22(20)36-41(39,40)9-6-26(29,30)31)23(38)19-14-33-24-18(19)10-15(11-32-24)16-12-34-25(35-13-16)37-7-2-1-3-8-37;26-19-4-3-16(20(27)21(19)35-40(38,39)8-5-25(28,29)30)22(37)18-13-32-23-17(18)9-14(10-31-23)15-11-33-24(34-12-15)36-6-1-2-7-36;26-19-4-3-16(21(27)22(19)35-39(37,38)6-5-25(28,29)30)23(36)18-12-34-24-17(18)8-14(9-33-24)15-10-31-20(32-11-15)7-13-1-2-13;25-18-3-2-15(19(26)20(18)34-39(37,38)7-4-24(27,28)29)21(36)17-12-31-22-16(17)8-13(9-30-22)14-10-32-23(33-11-14)35-5-1-6-35;25-18-4-3-15(19(26)20(18)34-38(36,37)6-5-24(27,28)29)21(35)17-11-33-23-16(17)7-13(8-32-23)14-9-30-22(31-10-14)12-1-2-12;1-34(2)22-31-9-13(10-32-22)12-7-15-16(11-30-21(15)29-8-12)20(35)14-3-4-17(24)19(18(14)25)33-38(36,37)6-5-23(26,27)28;1-2-18-29-9-13(10-30-18)12-7-15-16(11-32-22(15)31-8-12)21(34)14-3-4-17(24)20(19(14)25)33-37(35,36)6-5-23(26,27)28;1-2-34(32,33)30-20-18(24)6-5-15(19(20)25)21(31)17-11-29-23-16(17)7-13(8-28-23)14-9-26-22(27-10-14)12-3-4-12/h4-5,10-14,36H,1-3,6-9H2,(H,32,33);3-4,9-13,35H,1-2,5-8H2,(H,31,32);3-4,8-13,35H,1-2,5-7H2,(H,33,34);2-3,8-12,34H,1,4-7H2,(H,30,31);3-4,7-12,34H,1-2,5-6H2,(H,32,33);3-4,7-11,33H,5-6H2,1-2H3,(H,29,30);3-4,7-11,33H,2,5-6H2,1H3,(H,31,32);5-12,30H,2-4H2,1H3,(H,28,29).
What are the key properties of N-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide?
N-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide has a molecular weight of 4436.13 g/mol, XLogP of 37.99, 64 rotatable bonds, 16 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[2-(azetidin-1-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[5-(2-ethylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide is sourced from PubChem (CID 167638448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).