N-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide

C193H177Cl13N30O22S7 — CID 167547507

IUPACN-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide
SMILESCC(C)(c1ccc(-c2ccc3c(NS(C)(=O)=O)ncnc3c2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2ccc3nc(CS(C)(=O)=O)ncc3n2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2cnc3nc(CS(C)(=O)=O)ccc3c2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2cnc3nc(CS(C)(=O)=O)ncc3c2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2cnc3nc(NS(C)(=O)=O)cnc3c2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2cnc3nc(NS(C)(=O)=O)nc(N4CCOCC4)c3c2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CCCOc1c(Cl)cc(C(C)(C)c2ccc(-c3ccc4nc(NS(C)(=O)=O)ccc4n3)cc2)cc1C#N
InChIInChI=1S/C30H30Cl2N6O4S.C28H25Cl2N3O3S.C28H27ClN4O3S.3C27H24Cl2N4O3S.C26H23Cl2N5O3S/c1-30(2,23-14-20(17-33)26(25(32)16-23)42-11-8-31)22-6-4-19(5-7-22)21-15-24-27(34-18-21)35-29(37-43(3,39)40)36-28(24)38-9-12-41-13-10-38;1-28(2,23-13-20(15-31)26(25(30)14-23)36-11-10-29)22-7-4-18(5-8-22)21-12-19-6-9-24(17-37(3,34)35)33-27(19)32-16-21;1-5-14-36-27-19(17-30)15-21(16-22(27)29)28(2,3)20-8-6-18(7-9-20)23-10-11-25-24(31-23)12-13-26(32-25)33-37(4,34)35;1-27(2,21-12-19(15-30)25(23(29)14-21)36-11-10-28)20-7-4-17(5-8-20)18-6-9-22-24(13-18)31-16-32-26(22)33-37(3,34)35;1-27(2,22-11-18(13-30)25(23(29)12-22)36-9-8-28)21-6-4-17(5-7-21)19-10-20-15-31-24(16-37(3,34)35)33-26(20)32-14-19;1-27(2,20-12-18(14-30)26(21(29)13-20)36-11-10-28)19-6-4-17(5-7-19)22-8-9-23-24(32-22)15-31-25(33-23)16-37(3,34)35;1-26(2,20-10-17(13-29)24(21(28)12-20)36-9-8-27)19-6-4-16(5-7-19)18-11-22-25(31-14-18)32-23(15-30-22)33-37(3,34)35/h4-7,14-16,18H,8-13H2,1-3H3,(H,34,35,36,37);4-9,12-14,16H,10-11,17H2,1-3H3;6-13,15-16H,5,14H2,1-4H3,(H,32,33);4-9,12-14,16H,10-11H2,1-3H3,(H,31,32,33);4-7,10-12,14-15H,8-9,16H2,1-3H3;4-9,12-13,15H,10-11,16H2,1-3H3;4-7,10-12,14-15H,8-9H2,1-3H3,(H,31,32,33)
InChIKeyBZDMRXWLVXLWFC-UHFFFAOYSA-N
MW3954.08 g/mol
LogP41.07
Rot. Bonds57

About N-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide

N-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide (PubChem CID 167547507) has the molecular formula C193H177Cl13N30O22S7 and a molecular weight of 3954.08 g/mol. Its IUPAC name is N-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide
PubChem CID167547507
Molecular FormulaC193H177Cl13N30O22S7
Molecular Weight3954.08 g/mol
Exact Mass3944.76
IUPAC NameN-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide
SMILESCC(C)(c1ccc(-c2ccc3c(NS(C)(=O)=O)ncnc3c2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2ccc3nc(CS(C)(=O)=O)ncc3n2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2cnc3nc(CS(C)(=O)=O)ccc3c2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2cnc3nc(CS(C)(=O)=O)ncc3c2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2cnc3nc(NS(C)(=O)=O)cnc3c2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2cnc3nc(NS(C)(=O)=O)nc(N4CCOCC4)c3c2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CCCOc1c(Cl)cc(C(C)(C)c2ccc(-c3ccc4nc(NS(C)(=O)=O)ccc4n3)cc2)cc1C#N
InChIInChI=1S/C30H30Cl2N6O4S.C28H25Cl2N3O3S.C28H27ClN4O3S.3C27H24Cl2N4O3S.C26H23Cl2N5O3S/c1-30(2,23-14-20(17-33)26(25(32)16-23)42-11-8-31)22-6-4-19(5-7-22)21-15-24-27(34-18-21)35-29(37-43(3,39)40)36-28(24)38-9-12-41-13-10-38;1-28(2,23-13-20(15-31)26(25(30)14-23)36-11-10-29)22-7-4-18(5-8-22)21-12-19-6-9-24(17-37(3,34)35)33-27(19)32-16-21;1-5-14-36-27-19(17-30)15-21(16-22(27)29)28(2,3)20-8-6-18(7-9-20)23-10-11-25-24(31-23)12-13-26(32-25)33-37(4,34)35;1-27(2,21-12-19(15-30)25(23(29)14-21)36-11-10-28)20-7-4-17(5-8-20)18-6-9-22-24(13-18)31-16-32-26(22)33-37(3,34)35;1-27(2,22-11-18(13-30)25(23(29)12-22)36-9-8-28)21-6-4-17(5-7-21)19-10-20-15-31-24(16-37(3,34)35)33-26(20)32-14-19;1-27(2,20-12-18(14-30)26(21(29)13-20)36-11-10-28)19-6-4-17(5-7-19)22-8-9-23-24(32-22)15-31-25(33-23)16-37(3,34)35;1-26(2,20-10-17(13-29)24(21(28)12-20)36-9-8-27)19-6-4-16(5-7-19)18-11-22-25(31-14-18)32-23(15-30-22)33-37(3,34)35/h4-7,14-16,18H,8-13H2,1-3H3,(H,34,35,36,37);4-9,12-14,16H,10-11,17H2,1-3H3;6-13,15-16H,5,14H2,1-4H3,(H,32,33);4-9,12-14,16H,10-11H2,1-3H3,(H,31,32,33);4-7,10-12,14-15H,8-9,16H2,1-3H3;4-9,12-13,15H,10-11,16H2,1-3H3;4-7,10-12,14-15H,8-9H2,1-3H3,(H,31,32,33)
InChIKeyBZDMRXWLVXLWFC-UHFFFAOYSA-N
XLogP41.07
TPSA762.73 Ų
H-Bond Donors4
H-Bond Acceptors48
Rotatable Bonds57
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003954.08
LogP ≤ 541.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide?
The IUPAC name of N-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide (CID 167547507) is N-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide?
The canonical SMILES for N-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide is CC(C)(c1ccc(-c2ccc3c(NS(C)(=O)=O)ncnc3c2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2ccc3nc(CS(C)(=O)=O)ncc3n2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2cnc3nc(CS(C)(=O)=O)ccc3c2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2cnc3nc(CS(C)(=O)=O)ncc3c2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2cnc3nc(NS(C)(=O)=O)cnc3c2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2cnc3nc(NS(C)(=O)=O)nc(N4CCOCC4)c3c2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CCCOc1c(Cl)cc(C(C)(C)c2ccc(-c3ccc4nc(NS(C)(=O)=O)ccc4n3)cc2)cc1C#N.
What is the InChIKey of N-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide?
The InChIKey is BZDMRXWLVXLWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2N6O4S.C28H25Cl2N3O3S.C28H27ClN4O3S.3C27H24Cl2N4O3S.C26H23Cl2N5O3S/c1-30(2,23-14-20(17-33)26(25(32)16-23)42-11-8-31)22-6-4-19(5-7-22)21-15-24-27(34-18-21)35-29(37-43(3,39)40)36-28(24)38-9-12-41-13-10-38;1-28(2,23-13-20(15-31)26(25(30)14-23)36-11-10-29)22-7-4-18(5-8-22)21-12-19-6-9-24(17-37(3,34)35)33-27(19)32-16-21;1-5-14-36-27-19(17-30)15-21(16-22(27)29)28(2,3)20-8-6-18(7-9-20)23-10-11-25-24(31-23)12-13-26(32-25)33-37(4,34)35;1-27(2,21-12-19(15-30)25(23(29)14-21)36-11-10-28)20-7-4-17(5-8-20)18-6-9-22-24(13-18)31-16-32-26(22)33-37(3,34)35;1-27(2,22-11-18(13-30)25(23(29)12-22)36-9-8-28)21-6-4-17(5-7-21)19-10-20-15-31-24(16-37(3,34)35)33-26(20)32-14-19;1-27(2,20-12-18(14-30)26(21(29)13-20)36-11-10-28)19-6-4-17(5-7-19)22-8-9-23-24(32-22)15-31-25(33-23)16-37(3,34)35;1-26(2,20-10-17(13-29)24(21(28)12-20)36-9-8-27)19-6-4-16(5-7-19)18-11-22-25(31-14-18)32-23(15-30-22)33-37(3,34)35/h4-7,14-16,18H,8-13H2,1-3H3,(H,34,35,36,37);4-9,12-14,16H,10-11,17H2,1-3H3;6-13,15-16H,5,14H2,1-4H3,(H,32,33);4-9,12-14,16H,10-11H2,1-3H3,(H,31,32,33);4-7,10-12,14-15H,8-9,16H2,1-3H3;4-9,12-13,15H,10-11,16H2,1-3H3;4-7,10-12,14-15H,8-9H2,1-3H3,(H,31,32,33).
What are the key properties of N-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide?
N-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide has a molecular weight of 3954.08 g/mol, XLogP of 41.07, 57 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]methanesulfonamide;N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]quinazolin-4-yl]methanesulfonamide;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[7-(methylsulfonylmethyl)-1,8-naphthyridin-3-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;3-chloro-2-(2-chloroethoxy)-5-[2-[4-[2-(methylsulfonylmethyl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]propan-2-yl]benzonitrile;N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-1,5-naphthyridin-2-yl]methanesulfonamide is sourced from PubChem (CID 167547507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).