1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;4-[5-(2-tert-butyl-4-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-ethylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-propan-2-ylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;trans-(1S,4S)-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-difluorocyclohexan-1-ol

C312H437F13N74O24 — CID 157350882

About 1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;4-[5-(2-tert-butyl-4-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-ethylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-propan-2-ylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;trans-(1S,4S)-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-difluorocyclohexan-1-ol

1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;4-[5-(2-tert-butyl-4-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-ethylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-propan-2-ylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;trans-(1S,4S)-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-difluorocyclohexan-1-ol (PubChem CID 157350882) has the molecular formula C312H437F13N74O24 and a molecular weight of 5855.40 g/mol. Its IUPAC name is 1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;4-[5-(2-tert-butyl-4-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-ethylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-propan-2-ylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;trans-(1S,4S)-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-difluorocyclohexan-1-ol.

Molecular Properties

• Compound Name: 1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;4-[5-(2-tert-butyl-4-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-ethylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-propan-2-ylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;trans-(1S,4S)-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-difluorocyclohexan-1-ol
• PubChem CID: 157350882
• Molecular Formula: C312H437F13N74O24
• Molecular Weight: 5855.40 g/mol
• Exact Mass: 5851.50
• IUPAC Name: 1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;4-[5-(2-tert-butyl-4-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-ethylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-propan-2-ylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;trans-(1S,4S)-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-difluorocyclohexan-1-ol
• SMILES: C=C(C1CCC(c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)CC1)N1CCN(C)CC1.CCC1(O)CCC(c2cc(-c3cnn(C4CCC4)c3)c3cnc(N[C@@H](C)COC)nn23)CC1.CCC1(O)CCC(c2cc(-c3cnn(C4CCC4)c3)c3cnc(N[C@@H](C)COC)nn23)CC1.COC[C@H](C)Nc1ncc2c(-c3ccnc(C(C)(C)C)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C(C)(C)C(=O)N4CCCC4)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc(C3CCC(O)(C(C)C)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc(C3CCC(O)(C(C)C)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc([C@H]3CC[C@H](O)C(F)(F)C3)n2n1.C[C@@H](CC(F)(F)F)Nc1ncc2c(-c3cnn(C(C)(C)C(=O)N4CC5(CCC5)C4)c3)cc(C3CCC(O)CC3)n2n1.C[C@@H](CC(F)(F)F)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc(C3CCC(C)(O)CC3)n2n1.C[C@@H](CC(F)(F)F)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc(C3CCC(C)(O)CC3)n2n1.C[C@@H](COC(F)F)Nc1ncc2c(-c3cnn(C(C)(C)C(=O)N4CC5(CCC5)C4)c3)cc(C3CCC(O)CC3)n2n1
• InChI: InChI=1S/C29H38F3N7O2.C29H39F2N7O3.C29H46N6O2.C27H39N7O3.2C26H38N6O2.2C25H36N6O2.C25H35N5O2.2C24H31F3N6O.C23H30F2N6O2/c1-18(12-29(30,31)32)35-26-33-14-24-22(11-23(39(24)36-26)19-5-7-21(40)8-6-19)20-13-34-38(15-20)27(2,3)25(41)37-16-28(17-37)9-4-10-28;1-18(15-41-26(30)31)34-27-32-13-24-22(11-23(38(24)35-27)19-5-7-21(39)8-6-19)20-12-33-37(14-20)28(2,3)25(40)36-16-29(17-36)9-4-10-29;1-20(19-37-4)31-29-30-18-28-26(17-27(35(28)32-29)24-9-11-25(36)12-10-24)23-7-5-22(6-8-23)21(2)34-15-13-33(3)14-16-34;1-18(17-37-4)30-26-28-15-24-22(13-23(34(24)31-26)19-7-9-21(35)10-8-19)20-14-29-33(16-20)27(2,3)25(36)32-11-5-6-12-32;2*1-17(2)26(33)10-8-19(9-11-26)23-12-22(20-13-28-31(15-20)21-6-5-7-21)24-14-27-25(30-32(23)24)29-18(3)16-34-4;2*1-4-25(32)10-8-18(9-11-25)22-12-21(19-13-27-30(15-19)20-6-5-7-20)23-14-26-24(29-31(22)23)28-17(2)16-33-3;1-16(15-32-5)28-24-27-14-22-20(18-10-11-26-23(12-18)25(2,3)4)13-21(30(22)29-24)17-6-8-19(31)9-7-17;2*1-15(11-24(25,26)27)30-22-28-13-21-19(17-12-29-32(14-17)18-4-3-5-18)10-20(33(21)31-22)16-6-8-23(2,34)9-7-16;1-14(13-33-2)28-22-26-11-20-18(16-10-27-30(12-16)17-4-3-5-17)8-19(31(20)29-22)15-6-7-21(32)23(24,25)9-15/h11,13-15,18-19,21,40H,4-10,12,16-17H2,1-3H3,(H,35,36);11-14,18-19,21,26,39H,4-10,15-17H2,1-3H3,(H,34,35);17-18,20,22-25,36H,2,5-16,19H2,1,3-4H3,(H,31,32);13-16,18-19,21,35H,5-12,17H2,1-4H3,(H,30,31);2*12-15,17-19,21,33H,5-11,16H2,1-4H3,(H,29,30);2*12-15,17-18,20,32H,4-11,16H2,1-3H3,(H,28,29);10-14,16-17,19,31H,6-9,15H2,1-5H3,(H,28,29);2*10,12-16,18,34H,3-9,11H2,1-2H3,(H,30,31);8,10-12,14-15,17,21,32H,3-7,9,13H2,1-2H3,(H,28,29)/t2*18-,19?,21?;20-,22?,23?,24?,25?;18-,19?,21?;2*18-,19?,26?;2*17-,18?,25?;16-,17?,19?;2*15-,16?,23?;14-,15-,21-/m000000000000/s1
• InChIKey: BHNCNMKLWORVIC-MIURMRSSSA-N
• XLogP: 55.44
• TPSA: 1090.97 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 95
• Rotatable Bonds: 89
• Heavy Atoms: 423
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5855.40
LogP ≤ 5	55.44
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	95

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;4-[5-(2-tert-butyl-4-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-ethylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-propan-2-ylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;trans-(1S,4S)-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-difluorocyclohexan-1-ol?

The IUPAC name of 1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;4-[5-(2-tert-butyl-4-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-ethylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-propan-2-ylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;trans-(1S,4S)-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-difluorocyclohexan-1-ol (CID 157350882) is 1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;4-[5-(2-tert-butyl-4-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-ethylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-propan-2-ylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;trans-(1S,4S)-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-difluorocyclohexan-1-ol.

What is the SMILES notation for 1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;4-[5-(2-tert-butyl-4-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-ethylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-propan-2-ylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;trans-(1S,4S)-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-difluorocyclohexan-1-ol?

The canonical SMILES for 1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;4-[5-(2-tert-butyl-4-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-ethylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-propan-2-ylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;trans-(1S,4S)-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-difluorocyclohexan-1-ol is C=C(C1CCC(c2cc(C3CCC(O)CC3)n3nc(N[C@@H](C)COC)ncc23)CC1)N1CCN(C)CC1.CCC1(O)CCC(c2cc(-c3cnn(C4CCC4)c3)c3cnc(N[C@@H](C)COC)nn23)CC1.CCC1(O)CCC(c2cc(-c3cnn(C4CCC4)c3)c3cnc(N[C@@H](C)COC)nn23)CC1.COC[C@H](C)Nc1ncc2c(-c3ccnc(C(C)(C)C)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C(C)(C)C(=O)N4CCCC4)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc(C3CCC(O)(C(C)C)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc(C3CCC(O)(C(C)C)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc([C@H]3CC[C@H](O)C(F)(F)C3)n2n1.C[C@@H](CC(F)(F)F)Nc1ncc2c(-c3cnn(C(C)(C)C(=O)N4CC5(CCC5)C4)c3)cc(C3CCC(O)CC3)n2n1.C[C@@H](CC(F)(F)F)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc(C3CCC(C)(O)CC3)n2n1.C[C@@H](CC(F)(F)F)Nc1ncc2c(-c3cnn(C4CCC4)c3)cc(C3CCC(C)(O)CC3)n2n1.C[C@@H](COC(F)F)Nc1ncc2c(-c3cnn(C(C)(C)C(=O)N4CC5(CCC5)C4)c3)cc(C3CCC(O)CC3)n2n1.

What is the InChIKey of 1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;4-[5-(2-tert-butyl-4-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-ethylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-propan-2-ylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;trans-(1S,4S)-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-difluorocyclohexan-1-ol?

The InChIKey is BHNCNMKLWORVIC-MIURMRSSSA-N. The full InChI is InChI=1S/C29H38F3N7O2.C29H39F2N7O3.C29H46N6O2.C27H39N7O3.2C26H38N6O2.2C25H36N6O2.C25H35N5O2.2C24H31F3N6O.C23H30F2N6O2/c1-18(12-29(30,31)32)35-26-33-14-24-22(11-23(39(24)36-26)19-5-7-21(40)8-6-19)20-13-34-38(15-20)27(2,3)25(41)37-16-28(17-37)9-4-10-28;1-18(15-41-26(30)31)34-27-32-13-24-22(11-23(38(24)35-27)19-5-7-21(39)8-6-19)20-12-33-37(14-20)28(2,3)25(40)36-16-29(17-36)9-4-10-29;1-20(19-37-4)31-29-30-18-28-26(17-27(35(28)32-29)24-9-11-25(36)12-10-24)23-7-5-22(6-8-23)21(2)34-15-13-33(3)14-16-34;1-18(17-37-4)30-26-28-15-24-22(13-23(34(24)31-26)19-7-9-21(35)10-8-19)20-14-29-33(16-20)27(2,3)25(36)32-11-5-6-12-32;2*1-17(2)26(33)10-8-19(9-11-26)23-12-22(20-13-28-31(15-20)21-6-5-7-21)24-14-27-25(30-32(23)24)29-18(3)16-34-4;2*1-4-25(32)10-8-18(9-11-25)22-12-21(19-13-27-30(15-19)20-6-5-7-20)23-14-26-24(29-31(22)23)28-17(2)16-33-3;1-16(15-32-5)28-24-27-14-22-20(18-10-11-26-23(12-18)25(2,3)4)13-21(30(22)29-24)17-6-8-19(31)9-7-17;2*1-15(11-24(25,26)27)30-22-28-13-21-19(17-12-29-32(14-17)18-4-3-5-18)10-20(33(21)31-22)16-6-8-23(2,34)9-7-16;1-14(13-33-2)28-22-26-11-20-18(16-10-27-30(12-16)17-4-3-5-17)8-19(31(20)29-22)15-6-7-21(32)23(24,25)9-15/h11,13-15,18-19,21,40H,4-10,12,16-17H2,1-3H3,(H,35,36);11-14,18-19,21,26,39H,4-10,15-17H2,1-3H3,(H,34,35);17-18,20,22-25,36H,2,5-16,19H2,1,3-4H3,(H,31,32);13-16,18-19,21,35H,5-12,17H2,1-4H3,(H,30,31);2*12-15,17-19,21,33H,5-11,16H2,1-4H3,(H,29,30);2*12-15,17-18,20,32H,4-11,16H2,1-3H3,(H,28,29);10-14,16-17,19,31H,6-9,15H2,1-5H3,(H,28,29);2*10,12-16,18,34H,3-9,11H2,1-2H3,(H,30,31);8,10-12,14-15,17,21,32H,3-7,9,13H2,1-2H3,(H,28,29)/t2*18-,19?,21?;20-,22?,23?,24?,25?;18-,19?,21?;2*18-,19?,26?;2*17-,18?,25?;16-,17?,19?;2*15-,16?,23?;14-,15-,21-/m000000000000/s1.

What are the key properties of 1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;4-[5-(2-tert-butyl-4-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-ethylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-propan-2-ylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;trans-(1S,4S)-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-difluorocyclohexan-1-ol?

1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;4-[5-(2-tert-butyl-4-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-ethylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-propan-2-ylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;trans-(1S,4S)-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-difluorocyclohexan-1-ol has a molecular weight of 5855.40 g/mol, XLogP of 55.44, 89 rotatable bonds, 24 hydrogen bond donors, and 95 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;1-(2-azaspiro[3.3]heptan-2-yl)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methylpropan-1-one;4-[5-(2-tert-butyl-4-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-ethylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-propan-2-ylcyclohexan-1-ol);bis(4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-methylcyclohexan-1-ol);2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[4-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;trans-(1S,4S)-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-difluorocyclohexan-1-ol is sourced from PubChem (CID 157350882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).