2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

C131H168F15N39O10 — CID 161280834

IUPAC2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCOC(C)(C)C1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)cc4C(F)(F)F)nn3c2C)CC1.Cc1c(CN2CC(N3CCOCC3)C2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CC3CC2CN3C(C)(C)CO)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CC3CC2CN3C2COC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CCN(C(C)(C)CO)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12
InChIInChI=1S/C27H35F3N8O2.C27H36F3N7O2.C26H31F3N8O2.C26H35F3N8O2.C25H31F3N8O2/c1-16-17(12-36-13-19-9-18(36)14-37(19)26(2,3)15-39)8-22-25(35-4-6-40-7-5-35)33-24(34-38(16)22)20-11-32-23(31)10-21(20)27(28,29)30;1-17-18(16-35-7-5-19(6-8-35)26(2,3)38-4)13-22-25(36-9-11-39-12-10-36)33-24(34-37(17)22)20-15-32-23(31)14-21(20)27(28,29)30;1-15-16(10-35-11-18-7-17(35)12-36(18)19-13-39-14-19)6-22-25(34-2-4-38-5-3-34)32-24(33-37(15)22)20-9-31-23(30)8-21(20)26(27,28)29;1-17-18(15-34-4-6-36(7-5-34)25(2,3)16-38)12-21-24(35-8-10-39-11-9-35)32-23(33-37(17)21)19-14-31-22(30)13-20(19)26(27,28)29;1-16-17(13-33-14-18(15-33)34-2-6-37-7-3-34)10-21-24(35-4-8-38-9-5-35)31-23(32-36(16)21)19-12-30-22(29)11-20(19)25(26,27)28/h8,10-11,18-19,39H,4-7,9,12-15H2,1-3H3,(H2,31,32);13-15,19H,5-12,16H2,1-4H3,(H2,31,32);6,8-9,17-19H,2-5,7,10-14H2,1H3,(H2,30,31);12-14,38H,4-11,15-16H2,1-3H3,(H2,30,31);10-12,18H,2-9,13-15H2,1H3,(H2,29,30)
InChIKeyVFBHTTVHDPAYIE-UHFFFAOYSA-N
MW2734.02 g/mol
LogP13.42
Rot. Bonds28

About 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 161280834) has the molecular formula C131H168F15N39O10 and a molecular weight of 2734.02 g/mol. Its IUPAC name is 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID161280834
Molecular FormulaC131H168F15N39O10
Molecular Weight2734.02 g/mol
Exact Mass2732.36
IUPAC Name2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCOC(C)(C)C1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)cc4C(F)(F)F)nn3c2C)CC1.Cc1c(CN2CC(N3CCOCC3)C2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CC3CC2CN3C(C)(C)CO)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CC3CC2CN3C2COC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CCN(C(C)(C)CO)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12
InChIInChI=1S/C27H35F3N8O2.C27H36F3N7O2.C26H31F3N8O2.C26H35F3N8O2.C25H31F3N8O2/c1-16-17(12-36-13-19-9-18(36)14-37(19)26(2,3)15-39)8-22-25(35-4-6-40-7-5-35)33-24(34-38(16)22)20-11-32-23(31)10-21(20)27(28,29)30;1-17-18(16-35-7-5-19(6-8-35)26(2,3)38-4)13-22-25(36-9-11-39-12-10-36)33-24(34-37(17)22)20-15-32-23(31)14-21(20)27(28,29)30;1-15-16(10-35-11-18-7-17(35)12-36(18)19-13-39-14-19)6-22-25(34-2-4-38-5-3-34)32-24(33-37(15)22)20-9-31-23(30)8-21(20)26(27,28)29;1-17-18(15-34-4-6-36(7-5-34)25(2,3)16-38)12-21-24(35-8-10-39-11-9-35)32-23(33-37(17)21)19-14-31-22(30)13-20(19)26(27,28)29;1-16-17(13-33-14-18(15-33)34-2-6-37-7-3-34)10-21-24(35-4-8-38-9-5-35)31-23(32-36(16)21)19-12-30-22(29)11-20(19)25(26,27)28/h8,10-11,18-19,39H,4-7,9,12-15H2,1-3H3,(H2,31,32);13-15,19H,5-12,16H2,1-4H3,(H2,31,32);6,8-9,17-19H,2-5,7,10-14H2,1H3,(H2,30,31);12-14,38H,4-11,15-16H2,1-3H3,(H2,30,31);10-12,18H,2-9,13-15H2,1H3,(H2,29,30)
InChIKeyVFBHTTVHDPAYIE-UHFFFAOYSA-N
XLogP13.42
TPSA505.16 Ų
H-Bond Donors7
H-Bond Acceptors49
Rotatable Bonds28
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002734.02
LogP ≤ 513.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1049

Analyze 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-[[2-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 146544485
5-[6-[[4-(2-Methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 146544486
2-[1-[[2-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]propan-2-ol
CID 146544495
5-[6-[[2,2-Dimethyl-4-(oxetan-3-yl)piperazin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 146544497
2-[1-[[2-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]propan-2-ol
CID 146544500
5-[7-Methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 146544504
2-[1-[[2-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
CID 146544508
2-[4-[[2-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol
CID 146544624
2-[5-[[2-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol
CID 146544627
5-[7-Methyl-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 146544698
4-[6-[6-(Difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine
CID 157125171
4-[3-[2-Butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-ethyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine)
CID 158119460

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 161280834) is 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is COC(C)(C)C1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)cc4C(F)(F)F)nn3c2C)CC1.Cc1c(CN2CC(N3CCOCC3)C2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CC3CC2CN3C(C)(C)CO)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CC3CC2CN3C2COC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CCN(C(C)(C)CO)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.
What is the InChIKey of 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VFBHTTVHDPAYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F3N8O2.C27H36F3N7O2.C26H31F3N8O2.C26H35F3N8O2.C25H31F3N8O2/c1-16-17(12-36-13-19-9-18(36)14-37(19)26(2,3)15-39)8-22-25(35-4-6-40-7-5-35)33-24(34-38(16)22)20-11-32-23(31)10-21(20)27(28,29)30;1-17-18(16-35-7-5-19(6-8-35)26(2,3)38-4)13-22-25(36-9-11-39-12-10-36)33-24(34-37(17)22)20-15-32-23(31)14-21(20)27(28,29)30;1-15-16(10-35-11-18-7-17(35)12-36(18)19-13-39-14-19)6-22-25(34-2-4-38-5-3-34)32-24(33-37(15)22)20-9-31-23(30)8-21(20)26(27,28)29;1-17-18(15-34-4-6-36(7-5-34)25(2,3)16-38)12-21-24(35-8-10-39-11-9-35)32-23(33-37(17)21)19-14-31-22(30)13-20(19)26(27,28)29;1-16-17(13-33-14-18(15-33)34-2-6-37-7-3-34)10-21-24(35-4-8-38-9-5-35)31-23(32-36(16)21)19-12-30-22(29)11-20(19)25(26,27)28/h8,10-11,18-19,39H,4-7,9,12-15H2,1-3H3,(H2,31,32);13-15,19H,5-12,16H2,1-4H3,(H2,31,32);6,8-9,17-19H,2-5,7,10-14H2,1H3,(H2,30,31);12-14,38H,4-11,15-16H2,1-3H3,(H2,30,31);10-12,18H,2-9,13-15H2,1H3,(H2,29,30).
What are the key properties of 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 2734.02 g/mol, XLogP of 13.42, 28 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol;2-[4-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;5-[6-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 161280834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).