cis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol

C310H444F4N68O30S4 — CID 159902362

IUPACcis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol
SMILESC=C(C1CCC(c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)CC1)N1CC2(COC2)C1.C=C(C1CCC(c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)CC1)N1CC2(COC2)C1.C=C(C1CCC(c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)CC1)N1CCC(F)(F)CC1.C=C(C1CCC(c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)CC1)N1CCC(F)(F)CC1.CCC1(O)CCC(c2cc(-c3ccnc(N4CCCCC4)c3)c3cnc(N[C@@H](C)COC)nn23)CC1.CCC1(O)CCC(c2cc(-c3ccnc(N4CCCCC4)c3)c3cnc(N[C@@H](C)COC)nn23)CC1.COC[C@H](C)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc([C@@H]3CC[C@@H](O)C(C)(C)C3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc([C@@H]3CC[C@H](O)C(C)(C)C3)n2n1.[H]N=[S@@](C)(=O)c1cc(-c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)ccn1.[H]N=[S@@](C)(=O)c1cncc(-c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)c1.[H]N=[S@](C)(=O)c1cc(-c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)ccn1.[H]N=[S@](C)(=O)c1cncc(-c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)c1
InChIInChI=1S/2C29H43F2N5O2.2C29H43N5O3.2C28H40N6O2.2C25H36N6O2.4C22H30N6O3S/c2*1-19(18-38-3)33-28-32-17-27-25(16-26(36(27)34-28)23-8-10-24(37)11-9-23)22-6-4-21(5-7-22)20(2)35-14-12-29(30,31)13-15-35;2*1-19(14-36-3)31-28-30-13-27-25(12-26(34(27)32-28)23-8-10-24(35)11-9-23)22-6-4-21(5-7-22)20(2)33-15-29(16-33)17-37-18-29;2*1-4-28(35)11-8-21(9-12-28)24-17-23(22-10-13-29-26(16-22)33-14-6-5-7-15-33)25-18-30-27(32-34(24)25)31-20(2)19-36-3;2*1-16(15-33-4)28-24-26-13-22-20(18-12-27-30(14-18)19-6-5-7-19)10-21(31(22)29-24)17-8-9-23(32)25(2,3)11-17;2*1-14(13-31-2)26-22-25-12-21-19(16-8-18(11-24-10-16)32(3,23)30)9-20(28(21)27-22)15-4-6-17(29)7-5-15;2*1-14(13-31-2)26-22-25-12-20-18(16-8-9-24-21(10-16)32(3,23)30)11-19(28(20)27-22)15-4-6-17(29)7-5-15/h2*16-17,19,21-24,37H,2,4-15,18H2,1,3H3,(H,33,34);2*12-13,19,21-24,35H,2,4-11,14-18H2,1,3H3,(H,31,32);2*10,13,16-18,20-21,35H,4-9,11-12,14-15,19H2,1-3H3,(H,31,32);2*10,12-14,16-17,19,23,32H,5-9,11,15H2,1-4H3,(H,28,29);4*8-12,14-15,17,23,29H,4-7,13H2,1-3H3,(H,26,27)/t4*19-,21?,22?,23?,24?;2*20-,21?,28?;16-,17+,23+;16-,17+,23-;14-,15?,17?,32+;14-,15?,17?,32-;14-,15?,17?,32+;14-,15?,17?,32-/m000000000000/s1
InChIKeyNWCYUQHBRLLQPN-QVTMRVDNSA-N
MW5807.67 g/mol
LogP52.12
Rot. Bonds90

About cis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol

cis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 159902362) has the molecular formula C310H444F4N68O30S4 and a molecular weight of 5807.67 g/mol. Its IUPAC name is cis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol
PubChem CID159902362
Molecular FormulaC310H444F4N68O30S4
Molecular Weight5807.67 g/mol
Exact Mass5803.41
IUPAC Namecis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol
SMILESC=C(C1CCC(c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)CC1)N1CC2(COC2)C1.C=C(C1CCC(c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)CC1)N1CC2(COC2)C1.C=C(C1CCC(c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)CC1)N1CCC(F)(F)CC1.C=C(C1CCC(c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)CC1)N1CCC(F)(F)CC1.CCC1(O)CCC(c2cc(-c3ccnc(N4CCCCC4)c3)c3cnc(N[C@@H](C)COC)nn23)CC1.CCC1(O)CCC(c2cc(-c3ccnc(N4CCCCC4)c3)c3cnc(N[C@@H](C)COC)nn23)CC1.COC[C@H](C)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc([C@@H]3CC[C@@H](O)C(C)(C)C3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc([C@@H]3CC[C@H](O)C(C)(C)C3)n2n1.[H]N=[S@@](C)(=O)c1cc(-c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)ccn1.[H]N=[S@@](C)(=O)c1cncc(-c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)c1.[H]N=[S@](C)(=O)c1cc(-c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)ccn1.[H]N=[S@](C)(=O)c1cncc(-c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)c1
InChIInChI=1S/2C29H43F2N5O2.2C29H43N5O3.2C28H40N6O2.2C25H36N6O2.4C22H30N6O3S/c2*1-19(18-38-3)33-28-32-17-27-25(16-26(36(27)34-28)23-8-10-24(37)11-9-23)22-6-4-21(5-7-22)20(2)35-14-12-29(30,31)13-15-35;2*1-19(14-36-3)31-28-30-13-27-25(12-26(34(27)32-28)23-8-10-24(35)11-9-23)22-6-4-21(5-7-22)20(2)33-15-29(16-33)17-37-18-29;2*1-4-28(35)11-8-21(9-12-28)24-17-23(22-10-13-29-26(16-22)33-14-6-5-7-15-33)25-18-30-27(32-34(24)25)31-20(2)19-36-3;2*1-16(15-33-4)28-24-26-13-22-20(18-12-27-30(14-18)19-6-5-7-19)10-21(31(22)29-24)17-8-9-23(32)25(2,3)11-17;2*1-14(13-31-2)26-22-25-12-21-19(16-8-18(11-24-10-16)32(3,23)30)9-20(28(21)27-22)15-4-6-17(29)7-5-15;2*1-14(13-31-2)26-22-25-12-20-18(16-8-9-24-21(10-16)32(3,23)30)11-19(28(20)27-22)15-4-6-17(29)7-5-15/h2*16-17,19,21-24,37H,2,4-15,18H2,1,3H3,(H,33,34);2*12-13,19,21-24,35H,2,4-11,14-18H2,1,3H3,(H,31,32);2*10,13,16-18,20-21,35H,4-9,11-12,14-15,19H2,1-3H3,(H,31,32);2*10,12-14,16-17,19,23,32H,5-9,11,15H2,1-4H3,(H,28,29);4*8-12,14-15,17,23,29H,4-7,13H2,1-3H3,(H,26,27)/t4*19-,21?,22?,23?,24?;2*20-,21?,28?;16-,17+,23+;16-,17+,23-;14-,15?,17?,32+;14-,15?,17?,32-;14-,15?,17?,32+;14-,15?,17?,32-/m000000000000/s1
InChIKeyNWCYUQHBRLLQPN-QVTMRVDNSA-N
XLogP52.12
TPSA1174.72 Ų
H-Bond Donors28
H-Bond Acceptors98
Rotatable Bonds90
Heavy Atoms416
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005807.67
LogP ≤ 552.12
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1098

Analyze cis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of cis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol (CID 159902362) is cis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol is C=C(C1CCC(c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)CC1)N1CC2(COC2)C1.C=C(C1CCC(c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)CC1)N1CC2(COC2)C1.C=C(C1CCC(c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)CC1)N1CCC(F)(F)CC1.C=C(C1CCC(c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)CC1)N1CCC(F)(F)CC1.CCC1(O)CCC(c2cc(-c3ccnc(N4CCCCC4)c3)c3cnc(N[C@@H](C)COC)nn23)CC1.CCC1(O)CCC(c2cc(-c3ccnc(N4CCCCC4)c3)c3cnc(N[C@@H](C)COC)nn23)CC1.COC[C@H](C)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc([C@@H]3CC[C@@H](O)C(C)(C)C3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc([C@@H]3CC[C@H](O)C(C)(C)C3)n2n1.[H]N=[S@@](C)(=O)c1cc(-c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)ccn1.[H]N=[S@@](C)(=O)c1cncc(-c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)c1.[H]N=[S@](C)(=O)c1cc(-c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)ccn1.[H]N=[S@](C)(=O)c1cncc(-c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)c1.
What is the InChIKey of cis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is NWCYUQHBRLLQPN-QVTMRVDNSA-N. The full InChI is InChI=1S/2C29H43F2N5O2.2C29H43N5O3.2C28H40N6O2.2C25H36N6O2.4C22H30N6O3S/c2*1-19(18-38-3)33-28-32-17-27-25(16-26(36(27)34-28)23-8-10-24(37)11-9-23)22-6-4-21(5-7-22)20(2)35-14-12-29(30,31)13-15-35;2*1-19(14-36-3)31-28-30-13-27-25(12-26(34(27)32-28)23-8-10-24(35)11-9-23)22-6-4-21(5-7-22)20(2)33-15-29(16-33)17-37-18-29;2*1-4-28(35)11-8-21(9-12-28)24-17-23(22-10-13-29-26(16-22)33-14-6-5-7-15-33)25-18-30-27(32-34(24)25)31-20(2)19-36-3;2*1-16(15-33-4)28-24-26-13-22-20(18-12-27-30(14-18)19-6-5-7-19)10-21(31(22)29-24)17-8-9-23(32)25(2,3)11-17;2*1-14(13-31-2)26-22-25-12-21-19(16-8-18(11-24-10-16)32(3,23)30)9-20(28(21)27-22)15-4-6-17(29)7-5-15;2*1-14(13-31-2)26-22-25-12-20-18(16-8-9-24-21(10-16)32(3,23)30)11-19(28(20)27-22)15-4-6-17(29)7-5-15/h2*16-17,19,21-24,37H,2,4-15,18H2,1,3H3,(H,33,34);2*12-13,19,21-24,35H,2,4-11,14-18H2,1,3H3,(H,31,32);2*10,13,16-18,20-21,35H,4-9,11-12,14-15,19H2,1-3H3,(H,31,32);2*10,12-14,16-17,19,23,32H,5-9,11,15H2,1-4H3,(H,28,29);4*8-12,14-15,17,23,29H,4-7,13H2,1-3H3,(H,26,27)/t4*19-,21?,22?,23?,24?;2*20-,21?,28?;16-,17+,23+;16-,17+,23-;14-,15?,17?,32+;14-,15?,17?,32-;14-,15?,17?,32+;14-,15?,17?,32-/m000000000000/s1.
What are the key properties of cis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol?
cis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 5807.67 g/mol, XLogP of 52.12, 90 rotatable bonds, 28 hydrogen bond donors, and 98 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol;bis(4-[5-[4-[1-(4,4-difluoropiperidin-1-yl)ethenyl]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);bis(1-ethyl-4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(methylsulfonimidoyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(methylsulfonimidoyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);trans-(1R,4R)-4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 159902362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).