5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine

C104H113F12N21O12S4 — CID 157379141

IUPAC5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine
SMILESCN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1ncc(S(=O)(=O)Nc2ccncn2)cc1C#N.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1ncc(S(=O)(=O)Nc2ccncn2)cc1C1CC1.CN(C)[C@H]1C[C@@H](c2cccc(OC(F)(F)F)c2)CC[C@@H]1Nc1ccc(S(=O)(=O)Cc2ccncn2)cn1.O=S(=O)(Cc1ccncn1)c1ccc(N[C@H]2CC[C@H](c3cccc(OC(F)(F)F)c3)C[C@@H]2N2CCCC2)nc1
InChIInChI=1S/2C27H30F3N5O3S.C25H25F3N6O3S.C25H28F3N5O3S/c1-35(2)23-13-19(18-4-3-5-20(12-18)27(28,29)30)8-9-24(23)38-26-22(17-6-7-17)14-21(15-32-26)39(36,37)34-25-10-11-31-16-33-25;28-27(29,30)38-22-5-3-4-19(14-22)20-6-8-24(25(15-20)35-12-1-2-13-35)34-26-9-7-23(16-32-26)39(36,37)17-21-10-11-31-18-33-21;1-34(2)21-12-17(16-4-3-5-19(10-16)25(26,27)28)6-7-22(21)37-24-18(13-29)11-20(14-31-24)38(35,36)33-23-8-9-30-15-32-23;1-33(2)23-13-18(17-4-3-5-20(12-17)36-25(26,27)28)6-8-22(23)32-24-9-7-21(14-30-24)37(34,35)15-19-10-11-29-16-31-19/h3-5,10-12,14-17,19,23-24H,6-9,13H2,1-2H3,(H,31,33,34);3-5,7,9-11,14,16,18,20,24-25H,1-2,6,8,12-13,15,17H2,(H,32,34);3-5,8-11,14-15,17,21-22H,6-7,12H2,1-2H3,(H,30,32,33);3-5,7,9-12,14,16,18,22-23H,6,8,13,15H2,1-2H3,(H,30,32)/t19-,23-,24-;20-,24-,25-;17-,21-,22-;18-,22-,23-/m0000/s1
InChIKeyBKRACSHAJUEKIO-JXGSKDNMSA-N
MW2205.43 g/mol
LogP18.80
Rot. Bonds31

About 5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine

5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine (PubChem CID 157379141) has the molecular formula C104H113F12N21O12S4 and a molecular weight of 2205.43 g/mol. Its IUPAC name is 5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine.

Molecular Properties

Compound Name5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine
PubChem CID157379141
Molecular FormulaC104H113F12N21O12S4
Molecular Weight2205.43 g/mol
Exact Mass2203.76
IUPAC Name5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine
SMILESCN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1ncc(S(=O)(=O)Nc2ccncn2)cc1C#N.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1ncc(S(=O)(=O)Nc2ccncn2)cc1C1CC1.CN(C)[C@H]1C[C@@H](c2cccc(OC(F)(F)F)c2)CC[C@@H]1Nc1ccc(S(=O)(=O)Cc2ccncn2)cn1.O=S(=O)(Cc1ccncn1)c1ccc(N[C@H]2CC[C@H](c3cccc(OC(F)(F)F)c3)C[C@@H]2N2CCCC2)nc1
InChIInChI=1S/2C27H30F3N5O3S.C25H25F3N6O3S.C25H28F3N5O3S/c1-35(2)23-13-19(18-4-3-5-20(12-18)27(28,29)30)8-9-24(23)38-26-22(17-6-7-17)14-21(15-32-26)39(36,37)34-25-10-11-31-16-33-25;28-27(29,30)38-22-5-3-4-19(14-22)20-6-8-24(25(15-20)35-12-1-2-13-35)34-26-9-7-23(16-32-26)39(36,37)17-21-10-11-31-18-33-21;1-34(2)21-12-17(16-4-3-5-19(10-16)25(26,27)28)6-7-22(21)37-24-18(13-29)11-20(14-31-24)38(35,36)33-23-8-9-30-15-32-23;1-33(2)23-13-18(17-4-3-5-20(12-17)36-25(26,27)28)6-8-22(23)32-24-9-7-21(14-30-24)37(34,35)15-19-10-11-29-16-31-19/h3-5,10-12,14-17,19,23-24H,6-9,13H2,1-2H3,(H,31,33,34);3-5,7,9-11,14,16,18,20,24-25H,1-2,6,8,12-13,15,17H2,(H,32,34);3-5,8-11,14-15,17,21-22H,6-7,12H2,1-2H3,(H,30,32,33);3-5,7,9-12,14,16,18,22-23H,6,8,13,15H2,1-2H3,(H,30,32)/t19-,23-,24-;20-,24-,25-;17-,21-,22-;18-,22-,23-/m0000/s1
InChIKeyBKRACSHAJUEKIO-JXGSKDNMSA-N
XLogP18.80
TPSA413.03 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002205.43
LogP ≤ 518.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze 5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine 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-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine?
The IUPAC name of 5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine (CID 157379141) is 5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine.
What is the SMILES notation for 5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine?
The canonical SMILES for 5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine is CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1ncc(S(=O)(=O)Nc2ccncn2)cc1C#N.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1ncc(S(=O)(=O)Nc2ccncn2)cc1C1CC1.CN(C)[C@H]1C[C@@H](c2cccc(OC(F)(F)F)c2)CC[C@@H]1Nc1ccc(S(=O)(=O)Cc2ccncn2)cn1.O=S(=O)(Cc1ccncn1)c1ccc(N[C@H]2CC[C@H](c3cccc(OC(F)(F)F)c3)C[C@@H]2N2CCCC2)nc1.
What is the InChIKey of 5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine?
The InChIKey is BKRACSHAJUEKIO-JXGSKDNMSA-N. The full InChI is InChI=1S/2C27H30F3N5O3S.C25H25F3N6O3S.C25H28F3N5O3S/c1-35(2)23-13-19(18-4-3-5-20(12-18)27(28,29)30)8-9-24(23)38-26-22(17-6-7-17)14-21(15-32-26)39(36,37)34-25-10-11-31-16-33-25;28-27(29,30)38-22-5-3-4-19(14-22)20-6-8-24(25(15-20)35-12-1-2-13-35)34-26-9-7-23(16-32-26)39(36,37)17-21-10-11-31-18-33-21;1-34(2)21-12-17(16-4-3-5-19(10-16)25(26,27)28)6-7-22(21)37-24-18(13-29)11-20(14-31-24)38(35,36)33-23-8-9-30-15-32-23;1-33(2)23-13-18(17-4-3-5-20(12-17)36-25(26,27)28)6-8-22(23)32-24-9-7-21(14-30-24)37(34,35)15-19-10-11-29-16-31-19/h3-5,10-12,14-17,19,23-24H,6-9,13H2,1-2H3,(H,31,33,34);3-5,7,9-11,14,16,18,20,24-25H,1-2,6,8,12-13,15,17H2,(H,32,34);3-5,8-11,14-15,17,21-22H,6-7,12H2,1-2H3,(H,30,32,33);3-5,7,9-12,14,16,18,22-23H,6,8,13,15H2,1-2H3,(H,30,32)/t19-,23-,24-;20-,24-,25-;17-,21-,22-;18-,22-,23-/m0000/s1.
What are the key properties of 5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine?
5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine has a molecular weight of 2205.43 g/mol, XLogP of 18.80, 31 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-cyclopropyl-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-1-N-[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]-4-[3-(trifluoromethoxy)phenyl]cyclohexane-1,2-diamine;5-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]pyridin-2-amine is sourced from PubChem (CID 157379141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).