N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen

C153H187F8N49O6S — CID 157112847

IUPACN-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen
SMILESCCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1F.CCNC(c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1)C(F)(F)F.CN1CC=C(c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)CC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)ccc1C(=O)NC1CC1.Cn1nc(-c2ccc(C(=O)NC3CC3)c(F)c2)nc1Nc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(N)C(F)(F)F)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(CNS(C)(=O)=O)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H25N7O2.C23H24F3N7.C23H22FN7O.C22H22FN7O.C21H20F3N7.C21H23N7O2S.C19H23N7.14H2/c1-31-24(27-19-10-9-18-17(12-25-29-18)21(19)13-3-4-13)28-22(30-31)14-5-8-16(20(11-14)33-2)23(32)26-15-6-7-15;1-3-27-20(23(24,25)26)14-6-8-15(9-7-14)21-30-22(33(2)32-21)29-18-11-10-17-16(12-28-31-17)19(18)13-4-5-13;1-31-23(27-19-9-8-18-16(11-25-29-18)20(19)12-2-3-12)28-21(30-31)13-4-7-15(17(24)10-13)22(32)26-14-5-6-14;1-3-24-21(31)14-7-6-13(10-16(14)23)20-27-22(30(2)29-20)26-18-9-8-17-15(11-25-28-17)19(18)12-4-5-12;1-31-20(27-16-9-8-15-14(10-26-29-15)17(16)11-2-3-11)28-19(30-31)13-6-4-12(5-7-13)18(25)21(22,23)24;1-28-21(24-18-10-9-17-16(12-22-26-17)19(18)14-7-8-14)25-20(27-28)15-5-3-13(4-6-15)11-23-31(2,29)30;1-25-9-7-13(8-10-25)18-22-19(26(2)24-18)21-16-6-5-15-14(11-20-23-15)17(16)12-3-4-12;;;;;;;;;;;;;;/h5,8-13,15H,3-4,6-7H2,1-2H3,(H,25,29)(H,26,32)(H,27,28,30);6-13,20,27H,3-5H2,1-2H3,(H,28,31)(H,29,30,32);4,7-12,14H,2-3,5-6H2,1H3,(H,25,29)(H,26,32)(H,27,28,30);6-12H,3-5H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);4-11,18H,2-3,25H2,1H3,(H,26,29)(H,27,28,30);3-6,9-10,12,14,23H,7-8,11H2,1-2H3,(H,22,26)(H,24,25,27);5-7,11-12H,3-4,8-10H2,1-2H3,(H,20,23)(H,21,22,24);14*1H
InChIKeyAHBAPRQGHSNSRI-UHFFFAOYSA-N
MW2992.57 g/mol
LogP31.00
Rot. Bonds42

About N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen

N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen (PubChem CID 157112847) has the molecular formula C153H187F8N49O6S and a molecular weight of 2992.57 g/mol. Its IUPAC name is N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen
PubChem CID157112847
Molecular FormulaC153H187F8N49O6S
Molecular Weight2992.57 g/mol
Exact Mass2990.54
IUPAC NameN-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen
SMILESCCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1F.CCNC(c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1)C(F)(F)F.CN1CC=C(c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)CC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)ccc1C(=O)NC1CC1.Cn1nc(-c2ccc(C(=O)NC3CC3)c(F)c2)nc1Nc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(N)C(F)(F)F)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(CNS(C)(=O)=O)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H25N7O2.C23H24F3N7.C23H22FN7O.C22H22FN7O.C21H20F3N7.C21H23N7O2S.C19H23N7.14H2/c1-31-24(27-19-10-9-18-17(12-25-29-18)21(19)13-3-4-13)28-22(30-31)14-5-8-16(20(11-14)33-2)23(32)26-15-6-7-15;1-3-27-20(23(24,25)26)14-6-8-15(9-7-14)21-30-22(33(2)32-21)29-18-11-10-17-16(12-28-31-17)19(18)13-4-5-13;1-31-23(27-19-9-8-18-16(11-25-29-18)20(19)12-2-3-12)28-21(30-31)13-4-7-15(17(24)10-13)22(32)26-14-5-6-14;1-3-24-21(31)14-7-6-13(10-16(14)23)20-27-22(30(2)29-20)26-18-9-8-17-15(11-25-28-17)19(18)12-4-5-12;1-31-20(27-16-9-8-15-14(10-26-29-15)17(16)11-2-3-11)28-19(30-31)13-6-4-12(5-7-13)18(25)21(22,23)24;1-28-21(24-18-10-9-17-16(12-22-26-17)19(18)14-7-8-14)25-20(27-28)15-5-3-13(4-6-15)11-23-31(2,29)30;1-25-9-7-13(8-10-25)18-22-19(26(2)24-18)21-16-6-5-15-14(11-20-23-15)17(16)12-3-4-12;;;;;;;;;;;;;;/h5,8-13,15H,3-4,6-7H2,1-2H3,(H,25,29)(H,26,32)(H,27,28,30);6-13,20,27H,3-5H2,1-2H3,(H,28,31)(H,29,30,32);4,7-12,14H,2-3,5-6H2,1H3,(H,25,29)(H,26,32)(H,27,28,30);6-12H,3-5H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);4-11,18H,2-3,25H2,1H3,(H,26,29)(H,27,28,30);3-6,9-10,12,14,23H,7-8,11H2,1-2H3,(H,22,26)(H,24,25,27);5-7,11-12H,3-4,8-10H2,1-2H3,(H,20,23)(H,21,22,24);14*1H
InChIKeyAHBAPRQGHSNSRI-UHFFFAOYSA-N
XLogP31.00
TPSA683.93 Ų
H-Bond Donors20
H-Bond Acceptors44
Rotatable Bonds42
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002992.57
LogP ≤ 531.00
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1044

Analyze N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen with MolForge

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

Launch Full Analysis

Related Compounds

4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139351667
4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-methoxy-4-[1-methyl-5-[[1-(oxan-2-yl)indazol-5-yl]amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 139354180
4-[5-[[4-chloro-1-[1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-6-methoxycyclohexa-1,3-diene-1-carbonyl]pyrrolidin-2-yl]indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139365582
2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 139365756
4-[1-ethyl-5-[(4-propan-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139365768
4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139365829
2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 139365845
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139365925
2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 139365926
4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide
CID 139366006
4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139366008
2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)amino]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 149081679

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen?
The IUPAC name of N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen (CID 157112847) is N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen.
What is the SMILES notation for N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen?
The canonical SMILES for N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen is CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1F.CCNC(c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1)C(F)(F)F.CN1CC=C(c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)CC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)ccc1C(=O)NC1CC1.Cn1nc(-c2ccc(C(=O)NC3CC3)c(F)c2)nc1Nc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(N)C(F)(F)F)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(CNS(C)(=O)=O)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen?
The InChIKey is AHBAPRQGHSNSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2.C23H24F3N7.C23H22FN7O.C22H22FN7O.C21H20F3N7.C21H23N7O2S.C19H23N7.14H2/c1-31-24(27-19-10-9-18-17(12-25-29-18)21(19)13-3-4-13)28-22(30-31)14-5-8-16(20(11-14)33-2)23(32)26-15-6-7-15;1-3-27-20(23(24,25)26)14-6-8-15(9-7-14)21-30-22(33(2)32-21)29-18-11-10-17-16(12-28-31-17)19(18)13-4-5-13;1-31-23(27-19-9-8-18-16(11-25-29-18)20(19)12-2-3-12)28-21(30-31)13-4-7-15(17(24)10-13)22(32)26-14-5-6-14;1-3-24-21(31)14-7-6-13(10-16(14)23)20-27-22(30(2)29-20)26-18-9-8-17-15(11-25-28-17)19(18)12-4-5-12;1-31-20(27-16-9-8-15-14(10-26-29-15)17(16)11-2-3-11)28-19(30-31)13-6-4-12(5-7-13)18(25)21(22,23)24;1-28-21(24-18-10-9-17-16(12-22-26-17)19(18)14-7-8-14)25-20(27-28)15-5-3-13(4-6-15)11-23-31(2,29)30;1-25-9-7-13(8-10-25)18-22-19(26(2)24-18)21-16-6-5-15-14(11-20-23-15)17(16)12-3-4-12;;;;;;;;;;;;;;/h5,8-13,15H,3-4,6-7H2,1-2H3,(H,25,29)(H,26,32)(H,27,28,30);6-13,20,27H,3-5H2,1-2H3,(H,28,31)(H,29,30,32);4,7-12,14H,2-3,5-6H2,1H3,(H,25,29)(H,26,32)(H,27,28,30);6-12H,3-5H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);4-11,18H,2-3,25H2,1H3,(H,26,29)(H,27,28,30);3-6,9-10,12,14,23H,7-8,11H2,1-2H3,(H,22,26)(H,24,25,27);5-7,11-12H,3-4,8-10H2,1-2H3,(H,20,23)(H,21,22,24);14*1H.
What are the key properties of N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen?
N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen has a molecular weight of 2992.57 g/mol, XLogP of 31.00, 42 rotatable bonds, 20 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-cyclopropyl-1H-indazol-5-amine;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide;N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-cyclopropyl-N-[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide;N-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-cyclopropyl-N-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;molecular hydrogen is sourced from PubChem (CID 157112847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).