5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide

C172H171Cl2F15N36O25S8 — CID 159091406

IUPAC5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide
SMILESCOc1nn(-c2cnc(C)nc2)cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2cnc(C)nc2)cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)F)n2)cc1.Cc1ncc(-n2cc(CC(=O)N[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)(F)F)n2)cn1.Cc1ncc(-n2cc(CC(=O)N[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)F)n2)cn1.Cc1ncc(-n2cc(CC(=O)N[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C3CC3)n2)cn1.Cc1ncc(-n2cc(CC(=O)N[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cn1.Cc1ncc(-n2cc(CCCC3CCC3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cn1
InChIInChI=1S/C24H23F3N2O3S.C23H24FN5O3S.C21H22ClFN4O2S.C21H19F4N5O3S.C21H20F3N5O3S.2C21H22FN5O4S.C20H19ClFN5O3S/c1-15-2-7-18(8-3-15)29-14-16(23(28-29)24(26)27)4-12-21(30)20-11-13-22(20)33(31,32)19-9-5-17(25)6-10-19;1-14-25-11-18(12-26-14)29-13-16(23(28-29)15-2-3-15)10-22(30)27-20-8-9-21(20)33(31,32)19-6-4-17(24)5-7-19;1-14-24-11-18(12-25-14)27-13-16(21(22)26-27)4-2-3-15-5-10-20(15)30(28,29)19-8-6-17(23)7-9-19;1-12-26-9-15(10-27-12)30-11-13(20(29-30)21(23,24)25)8-19(31)28-17-6-7-18(17)34(32,33)16-4-2-14(22)3-5-16;1-12-25-9-15(10-26-12)29-11-13(20(28-29)21(23)24)8-19(30)27-17-6-7-18(17)33(31,32)16-4-2-14(22)3-5-16;2*1-13-23-10-16(11-24-13)27-12-14(21(26-27)31-2)9-20(28)25-18-7-8-19(18)32(29,30)17-5-3-15(22)4-6-17;1-12-23-9-15(10-24-12)27-11-13(20(21)26-27)8-19(28)25-17-6-7-18(17)31(29,30)16-4-2-14(22)3-5-16/h2-3,5-10,14,20,22,24H,4,11-13H2,1H3;4-7,11-13,15,20-21H,2-3,8-10H2,1H3,(H,27,30);6-9,11-13,15,20H,2-5,10H2,1H3;2-5,9-11,17-18H,6-8H2,1H3,(H,28,31);2-5,9-11,17-18,21H,6-8H2,1H3,(H,27,30);2*3-6,10-12,18-19H,7-9H2,1-2H3,(H,25,28);2-5,9-11,17-18H,6-8H2,1H3,(H,25,28)/t20-,22-;20-,21+;;2*17-,18+;2*18-,19+;17-,18+/m01.11111/s1
InChIKeyKCCKGDMMINGQFV-NRKIXPFCSA-N
MW3754.90 g/mol
LogP23.49
Rot. Bonds55

About 5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide

5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide (PubChem CID 159091406) has the molecular formula C172H171Cl2F15N36O25S8 and a molecular weight of 3754.90 g/mol. Its IUPAC name is 5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide
PubChem CID159091406
Molecular FormulaC172H171Cl2F15N36O25S8
Molecular Weight3754.90 g/mol
Exact Mass3751.01
IUPAC Name5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide
SMILESCOc1nn(-c2cnc(C)nc2)cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2cnc(C)nc2)cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)F)n2)cc1.Cc1ncc(-n2cc(CC(=O)N[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)(F)F)n2)cn1.Cc1ncc(-n2cc(CC(=O)N[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)F)n2)cn1.Cc1ncc(-n2cc(CC(=O)N[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C3CC3)n2)cn1.Cc1ncc(-n2cc(CC(=O)N[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cn1.Cc1ncc(-n2cc(CCCC3CCC3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cn1
InChIInChI=1S/C24H23F3N2O3S.C23H24FN5O3S.C21H22ClFN4O2S.C21H19F4N5O3S.C21H20F3N5O3S.2C21H22FN5O4S.C20H19ClFN5O3S/c1-15-2-7-18(8-3-15)29-14-16(23(28-29)24(26)27)4-12-21(30)20-11-13-22(20)33(31,32)19-9-5-17(25)6-10-19;1-14-25-11-18(12-26-14)29-13-16(23(28-29)15-2-3-15)10-22(30)27-20-8-9-21(20)33(31,32)19-6-4-17(24)5-7-19;1-14-24-11-18(12-25-14)27-13-16(21(22)26-27)4-2-3-15-5-10-20(15)30(28,29)19-8-6-17(23)7-9-19;1-12-26-9-15(10-27-12)30-11-13(20(29-30)21(23,24)25)8-19(31)28-17-6-7-18(17)34(32,33)16-4-2-14(22)3-5-16;1-12-25-9-15(10-26-12)29-11-13(20(28-29)21(23)24)8-19(30)27-17-6-7-18(17)33(31,32)16-4-2-14(22)3-5-16;2*1-13-23-10-16(11-24-13)27-12-14(21(26-27)31-2)9-20(28)25-18-7-8-19(18)32(29,30)17-5-3-15(22)4-6-17;1-12-23-9-15(10-24-12)27-11-13(20(21)26-27)8-19(28)25-17-6-7-18(17)31(29,30)16-4-2-14(22)3-5-16/h2-3,5-10,14,20,22,24H,4,11-13H2,1H3;4-7,11-13,15,20-21H,2-3,8-10H2,1H3,(H,27,30);6-9,11-13,15,20H,2-5,10H2,1H3;2-5,9-11,17-18H,6-8H2,1H3,(H,28,31);2-5,9-11,17-18,21H,6-8H2,1H3,(H,27,30);2*3-6,10-12,18-19H,7-9H2,1-2H3,(H,25,28);2-5,9-11,17-18H,6-8H2,1H3,(H,25,28)/t20-,22-;20-,21+;;2*17-,18+;2*18-,19+;17-,18+/m01.11111/s1
InChIKeyKCCKGDMMINGQFV-NRKIXPFCSA-N
XLogP23.49
TPSA806.27 Ų
H-Bond Donors6
H-Bond Acceptors55
Rotatable Bonds55
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003754.90
LogP ≤ 523.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1055

Analyze 5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide (CID 159091406) is 5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide is COc1nn(-c2cnc(C)nc2)cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2cnc(C)nc2)cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)F)n2)cc1.Cc1ncc(-n2cc(CC(=O)N[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)(F)F)n2)cn1.Cc1ncc(-n2cc(CC(=O)N[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)F)n2)cn1.Cc1ncc(-n2cc(CC(=O)N[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C3CC3)n2)cn1.Cc1ncc(-n2cc(CC(=O)N[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cn1.Cc1ncc(-n2cc(CCCC3CCC3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cn1.
What is the InChIKey of 5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The InChIKey is KCCKGDMMINGQFV-NRKIXPFCSA-N. The full InChI is InChI=1S/C24H23F3N2O3S.C23H24FN5O3S.C21H22ClFN4O2S.C21H19F4N5O3S.C21H20F3N5O3S.2C21H22FN5O4S.C20H19ClFN5O3S/c1-15-2-7-18(8-3-15)29-14-16(23(28-29)24(26)27)4-12-21(30)20-11-13-22(20)33(31,32)19-9-5-17(25)6-10-19;1-14-25-11-18(12-26-14)29-13-16(23(28-29)15-2-3-15)10-22(30)27-20-8-9-21(20)33(31,32)19-6-4-17(24)5-7-19;1-14-24-11-18(12-25-14)27-13-16(21(22)26-27)4-2-3-15-5-10-20(15)30(28,29)19-8-6-17(23)7-9-19;1-12-26-9-15(10-27-12)30-11-13(20(29-30)21(23,24)25)8-19(31)28-17-6-7-18(17)34(32,33)16-4-2-14(22)3-5-16;1-12-25-9-15(10-26-12)29-11-13(20(28-29)21(23)24)8-19(30)27-17-6-7-18(17)33(31,32)16-4-2-14(22)3-5-16;2*1-13-23-10-16(11-24-13)27-12-14(21(26-27)31-2)9-20(28)25-18-7-8-19(18)32(29,30)17-5-3-15(22)4-6-17;1-12-23-9-15(10-24-12)27-11-13(20(21)26-27)8-19(28)25-17-6-7-18(17)31(29,30)16-4-2-14(22)3-5-16/h2-3,5-10,14,20,22,24H,4,11-13H2,1H3;4-7,11-13,15,20-21H,2-3,8-10H2,1H3,(H,27,30);6-9,11-13,15,20H,2-5,10H2,1H3;2-5,9-11,17-18H,6-8H2,1H3,(H,28,31);2-5,9-11,17-18,21H,6-8H2,1H3,(H,27,30);2*3-6,10-12,18-19H,7-9H2,1-2H3,(H,25,28);2-5,9-11,17-18H,6-8H2,1H3,(H,25,28)/t20-,22-;20-,21+;;2*17-,18+;2*18-,19+;17-,18+/m01.11111/s1.
What are the key properties of 5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide has a molecular weight of 3754.90 g/mol, XLogP of 23.49, 55 rotatable bonds, 6 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-[3-[2-(4-fluorophenyl)sulfonylcyclobutyl]propyl]pyrazol-1-yl]-2-methylpyrimidine;2-[3-chloro-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[3-cyclopropyl-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;3-[3-(difluoromethyl)-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[3-(difluoromethyl)-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;bis(N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[3-methoxy-1-(2-methylpyrimidin-5-yl)pyrazol-4-yl]acetamide);N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 159091406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).