4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

C209H214F5N67O6 — CID 159381408

IUPAC4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESC=C(C)c1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.C=C(C)c1c(Nc2nc(-c3ccc(C(=O)NCC)cc3)nn2C)ccc2[nH]ncc12.CC(=O)N1CCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4C4CC4)n(C)n3)ccc2C1C.CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1.CCN1CCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4C4CC4)n(C)n3)ccc2C1C.CCN1CCc2nc(-c3ccc(-c4nc(Nc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)[nH]c2C1.Cn1nc(-c2ccc(-c3ncc[nH]3)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(-c3ncc[nH]3)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(C)(F)F)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C27H29N9.C25H27N7O.C25H29N7.C23H23F2N7O.C22H20F3N7O.2C22H20N8.C22H23N7O.C21H23N7O2/c1-3-36-13-12-21-23(15-36)30-25(29-21)17-6-8-18(9-7-17)26-32-27(35(2)34-26)31-22-11-10-20-19(14-28-33-20)24(22)16-4-5-16;1-14-19-7-6-18(12-17(19)10-11-32(14)15(2)33)24-28-25(31(3)30-24)27-22-9-8-21-20(13-26-29-21)23(22)16-4-5-16;1-4-32-12-11-17-13-18(7-8-19(17)15(32)2)24-28-25(31(3)30-24)27-22-10-9-21-20(14-26-29-21)23(22)16-5-6-16;1-23(24,25)12-26-21(33)15-7-5-14(6-8-15)20-29-22(32(2)31-20)28-18-10-9-17-16(11-27-30-17)19(18)13-3-4-13;1-12(2)18-15-10-27-30-16(15)8-9-17(18)28-21-29-19(31-32(21)3)13-4-6-14(7-5-13)20(33)26-11-22(23,24)25;2*1-30-22(26-18-9-8-17-16(12-25-28-17)19(18)13-2-3-13)27-21(29-30)15-6-4-14(5-7-15)20-23-10-11-24-20;1-5-23-21(30)15-8-6-14(7-9-15)20-26-22(29(4)28-20)25-18-11-10-17-16(12-24-27-17)19(18)13(2)3;1-13(2)23-19(29)12-30-17-7-4-14(5-8-17)20-25-21(28(3)27-20)24-16-6-9-18-15(10-16)11-22-26-18/h6-11,14,16H,3-5,12-13,15H2,1-2H3,(H,28,33)(H,29,30)(H,31,32,34);6-9,12-14,16H,4-5,10-11H2,1-3H3,(H,26,29)(H,27,28,30);7-10,13-16H,4-6,11-12H2,1-3H3,(H,26,29)(H,27,28,30);5-11,13H,3-4,12H2,1-2H3,(H,26,33)(H,27,30)(H,28,29,31);4-10H,1,11H2,2-3H3,(H,26,33)(H,27,30)(H,28,29,31);2*4-13H,2-3H2,1H3,(H,23,24)(H,25,28)(H,26,27,29);6-12H,2,5H2,1,3-4H3,(H,23,30)(H,24,27)(H,25,26,28);4-11,13H,12H2,1-3H3,(H,22,26)(H,23,29)(H,24,25,27)
InChIKeyLKYMGYOKTFHYTD-UHFFFAOYSA-N
MW3855.46 g/mol
LogP38.53
Rot. Bonds51

About 4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 159381408) has the molecular formula C209H214F5N67O6 and a molecular weight of 3855.46 g/mol. Its IUPAC name is 4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID159381408
Molecular FormulaC209H214F5N67O6
Molecular Weight3855.46 g/mol
Exact Mass3852.84
IUPAC Name4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESC=C(C)c1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.C=C(C)c1c(Nc2nc(-c3ccc(C(=O)NCC)cc3)nn2C)ccc2[nH]ncc12.CC(=O)N1CCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4C4CC4)n(C)n3)ccc2C1C.CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1.CCN1CCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4C4CC4)n(C)n3)ccc2C1C.CCN1CCc2nc(-c3ccc(-c4nc(Nc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)[nH]c2C1.Cn1nc(-c2ccc(-c3ncc[nH]3)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(-c3ncc[nH]3)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(C)(F)F)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C27H29N9.C25H27N7O.C25H29N7.C23H23F2N7O.C22H20F3N7O.2C22H20N8.C22H23N7O.C21H23N7O2/c1-3-36-13-12-21-23(15-36)30-25(29-21)17-6-8-18(9-7-17)26-32-27(35(2)34-26)31-22-11-10-20-19(14-28-33-20)24(22)16-4-5-16;1-14-19-7-6-18(12-17(19)10-11-32(14)15(2)33)24-28-25(31(3)30-24)27-22-9-8-21-20(13-26-29-21)23(22)16-4-5-16;1-4-32-12-11-17-13-18(7-8-19(17)15(32)2)24-28-25(31(3)30-24)27-22-10-9-21-20(14-26-29-21)23(22)16-5-6-16;1-23(24,25)12-26-21(33)15-7-5-14(6-8-15)20-29-22(32(2)31-20)28-18-10-9-17-16(11-27-30-17)19(18)13-3-4-13;1-12(2)18-15-10-27-30-16(15)8-9-17(18)28-21-29-19(31-32(21)3)13-4-6-14(7-5-13)20(33)26-11-22(23,24)25;2*1-30-22(26-18-9-8-17-16(12-25-28-17)19(18)13-2-3-13)27-21(29-30)15-6-4-14(5-7-15)20-23-10-11-24-20;1-5-23-21(30)15-8-6-14(7-9-15)20-26-22(29(4)28-20)25-18-11-10-17-16(12-24-27-17)19(18)13(2)3;1-13(2)23-19(29)12-30-17-7-4-14(5-8-17)20-25-21(28(3)27-20)24-16-6-9-18-15(10-16)11-22-26-18/h6-11,14,16H,3-5,12-13,15H2,1-2H3,(H,28,33)(H,29,30)(H,31,32,34);6-9,12-14,16H,4-5,10-11H2,1-3H3,(H,26,29)(H,27,28,30);7-10,13-16H,4-6,11-12H2,1-3H3,(H,26,29)(H,27,28,30);5-11,13H,3-4,12H2,1-2H3,(H,26,33)(H,27,30)(H,28,29,31);4-10H,1,11H2,2-3H3,(H,26,33)(H,27,30)(H,28,29,31);2*4-13H,2-3H2,1H3,(H,23,24)(H,25,28)(H,26,27,29);6-12H,2,5H2,1,3-4H3,(H,23,30)(H,24,27)(H,25,26,28);4-11,13H,12H2,1-3H3,(H,22,26)(H,23,29)(H,24,25,27)
InChIKeyLKYMGYOKTFHYTD-UHFFFAOYSA-N
XLogP38.53
TPSA881.24 Ų
H-Bond Donors25
H-Bond Acceptors56
Rotatable Bonds51
Heavy Atoms287
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003855.46
LogP ≤ 538.53
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1056

Analyze 4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 159381408) is 4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is C=C(C)c1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.C=C(C)c1c(Nc2nc(-c3ccc(C(=O)NCC)cc3)nn2C)ccc2[nH]ncc12.CC(=O)N1CCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4C4CC4)n(C)n3)ccc2C1C.CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1.CCN1CCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4C4CC4)n(C)n3)ccc2C1C.CCN1CCc2nc(-c3ccc(-c4nc(Nc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)[nH]c2C1.Cn1nc(-c2ccc(-c3ncc[nH]3)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(-c3ncc[nH]3)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(C)(F)F)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is LKYMGYOKTFHYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N9.C25H27N7O.C25H29N7.C23H23F2N7O.C22H20F3N7O.2C22H20N8.C22H23N7O.C21H23N7O2/c1-3-36-13-12-21-23(15-36)30-25(29-21)17-6-8-18(9-7-17)26-32-27(35(2)34-26)31-22-11-10-20-19(14-28-33-20)24(22)16-4-5-16;1-14-19-7-6-18(12-17(19)10-11-32(14)15(2)33)24-28-25(31(3)30-24)27-22-9-8-21-20(13-26-29-21)23(22)16-4-5-16;1-4-32-12-11-17-13-18(7-8-19(17)15(32)2)24-28-25(31(3)30-24)27-22-10-9-21-20(14-26-29-21)23(22)16-5-6-16;1-23(24,25)12-26-21(33)15-7-5-14(6-8-15)20-29-22(32(2)31-20)28-18-10-9-17-16(11-27-30-17)19(18)13-3-4-13;1-12(2)18-15-10-27-30-16(15)8-9-17(18)28-21-29-19(31-32(21)3)13-4-6-14(7-5-13)20(33)26-11-22(23,24)25;2*1-30-22(26-18-9-8-17-16(12-25-28-17)19(18)13-2-3-13)27-21(29-30)15-6-4-14(5-7-15)20-23-10-11-24-20;1-5-23-21(30)15-8-6-14(7-9-15)20-26-22(29(4)28-20)25-18-11-10-17-16(12-24-27-17)19(18)13(2)3;1-13(2)23-19(29)12-30-17-7-4-14(5-8-17)20-25-21(28(3)27-20)24-16-6-9-18-15(10-16)11-22-26-18/h6-11,14,16H,3-5,12-13,15H2,1-2H3,(H,28,33)(H,29,30)(H,31,32,34);6-9,12-14,16H,4-5,10-11H2,1-3H3,(H,26,29)(H,27,28,30);7-10,13-16H,4-6,11-12H2,1-3H3,(H,26,29)(H,27,28,30);5-11,13H,3-4,12H2,1-2H3,(H,26,33)(H,27,30)(H,28,29,31);4-10H,1,11H2,2-3H3,(H,26,33)(H,27,30)(H,28,29,31);2*4-13H,2-3H2,1H3,(H,23,24)(H,25,28)(H,26,27,29);6-12H,2,5H2,1,3-4H3,(H,23,30)(H,24,27)(H,25,26,28);4-11,13H,12H2,1-3H3,(H,22,26)(H,23,29)(H,24,25,27).
What are the key properties of 4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 3855.46 g/mol, XLogP of 38.53, 51 rotatable bonds, 25 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)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-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 159381408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).