[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C96H103ClF15N27O5S — CID 165084232

IUPAC[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCNCc1cc2c(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)nc(C)nn2c1.COc1cc2c(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)nc(C)nn2c1.C[C@@H](Nc1nc(Cl)cn2cc(C(=O)N3CCOCC3)nc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnc2cc(C(=O)N3CCOCC3)sc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnc2cn(CC3CCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C21H24F3N5.C20H20ClF3N6O2.C20H20F3N5O2S.C18H21F3N6.C17H18F3N5O/c1-13(15-6-16(21(22,23)24)8-17(25)7-15)28-20-18-10-29(9-14-4-2-3-5-14)11-19(18)26-12-27-20;1-11(12-6-13(20(22,23)24)8-14(25)7-12)26-17-18-27-15(9-30(18)10-16(21)28-17)19(31)29-2-4-32-5-3-29;1-11(12-6-13(20(21,22)23)8-14(24)7-12)27-18-17-15(25-10-26-18)9-16(31-17)19(29)28-2-4-30-5-3-28;1-10(13-5-14(18(19,20)21)7-15(22)6-13)24-17-16-4-12(8-23-3)9-27(16)26-11(2)25-17;1-9(11-4-12(17(18,19)20)6-13(21)5-11)22-16-15-7-14(26-3)8-25(15)24-10(2)23-16/h6-8,10-14H,2-5,9,25H2,1H3,(H,26,27,28);6-11H,2-5,25H2,1H3,(H,26,28);6-11H,2-5,24H2,1H3,(H,25,26,27);4-7,9-10,23H,8,22H2,1-3H3,(H,24,25,26);4-9H,21H2,1-3H3,(H,22,23,24)/t13-;2*11-;10-;9-/m11111/s1
InChIKeyVPTFFDRNEXYZRK-HFIIEDKISA-N
MW2067.55 g/mol
LogP20.31
Rot. Bonds22

About [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 165084232) has the molecular formula C96H103ClF15N27O5S and a molecular weight of 2067.55 g/mol. Its IUPAC name is [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID165084232
Molecular FormulaC96H103ClF15N27O5S
Molecular Weight2067.55 g/mol
Exact Mass2065.78
IUPAC Name[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCNCc1cc2c(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)nc(C)nn2c1.COc1cc2c(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)nc(C)nn2c1.C[C@@H](Nc1nc(Cl)cn2cc(C(=O)N3CCOCC3)nc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnc2cc(C(=O)N3CCOCC3)sc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnc2cn(CC3CCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C21H24F3N5.C20H20ClF3N6O2.C20H20F3N5O2S.C18H21F3N6.C17H18F3N5O/c1-13(15-6-16(21(22,23)24)8-17(25)7-15)28-20-18-10-29(9-14-4-2-3-5-14)11-19(18)26-12-27-20;1-11(12-6-13(20(22,23)24)8-14(25)7-12)26-17-18-27-15(9-30(18)10-16(21)28-17)19(31)29-2-4-32-5-3-29;1-11(12-6-13(20(21,22)23)8-14(24)7-12)27-18-17-15(25-10-26-18)9-16(31-17)19(29)28-2-4-30-5-3-28;1-10(13-5-14(18(19,20)21)7-15(22)6-13)24-17-16-4-12(8-23-3)9-27(16)26-11(2)25-17;1-9(11-4-12(17(18,19)20)6-13(21)5-11)22-16-15-7-14(26-3)8-25(15)24-10(2)23-16/h6-8,10-14H,2-5,9,25H2,1H3,(H,26,27,28);6-11H,2-5,25H2,1H3,(H,26,28);6-11H,2-5,24H2,1H3,(H,25,26,27);4-7,9-10,23H,8,22H2,1-3H3,(H,24,25,26);4-9H,21H2,1-3H3,(H,22,23,24)/t13-;2*11-;10-;9-/m11111/s1
InChIKeyVPTFFDRNEXYZRK-HFIIEDKISA-N
XLogP20.31
TPSA417.65 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002067.55
LogP ≤ 520.31
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-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-ethyl-N-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;1-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;2-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;4-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;5-methyl-7-(propan-2-ylamino)pyrido[2,3-b]pyrazin-6-one;6-methyl-N-propan-2-ylthieno[2,3-c]pyridazin-3-amine;4-methyl-N-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-amine;5-methylsulfanyl-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;2-(propan-2-ylamino)-4H-pyrido[2,3-b]pyrazin-3-one;7-(propan-2-ylamino)-5H-pyrido[3,2-d]pyrimidin-6-one;7-(propan-2-ylamino)-2-(trifluoromethyl)-5H-pyrido[3,2-d]pyrimidin-6-one;N-propan-2-yl-1,2,3-benzothiadiazol-6-amine;N-propan-2-ylthiadiazolo[4,5-b]pyridin-6-amine;N-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;N-propan-2-ylthieno[3,2-c]pyridazin-3-amine;N-propan-2-yl-6-(trifluoromethyl)furo[3,2-c]pyridazin-3-amine
CID 158077376
[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-morpholin-4-ylmethanone;[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-(cyclohexen-1-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 164974987
[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;[4-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-2-chloro-3,4a,5,7a-tetrahydropyrrolo[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 165091779
[5-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-chloroimidazo[1,2-a]pyrimidin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)-2-methylthieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxypyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(4-prop-1-en-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(4-prop-1-en-2-ylpiperazin-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 165109678
[4-[[(1R)-1-[3-amino-4-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 167053486
4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine
CID 158142001
5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-3H-pyrrolo[3,2-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine;1H-pyrazolo[4,5-b]pyridine
CID 159006390
4-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine
CID 161097547

Frequently Asked Questions

What is the IUPAC name of [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 165084232) is [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is CNCc1cc2c(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)nc(C)nn2c1.COc1cc2c(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)nc(C)nn2c1.C[C@@H](Nc1nc(Cl)cn2cc(C(=O)N3CCOCC3)nc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnc2cc(C(=O)N3CCOCC3)sc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnc2cn(CC3CCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.
What is the InChIKey of [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is VPTFFDRNEXYZRK-HFIIEDKISA-N. The full InChI is InChI=1S/C21H24F3N5.C20H20ClF3N6O2.C20H20F3N5O2S.C18H21F3N6.C17H18F3N5O/c1-13(15-6-16(21(22,23)24)8-17(25)7-15)28-20-18-10-29(9-14-4-2-3-5-14)11-19(18)26-12-27-20;1-11(12-6-13(20(22,23)24)8-14(25)7-12)26-17-18-27-15(9-30(18)10-16(21)28-17)19(31)29-2-4-32-5-3-29;1-11(12-6-13(20(21,22)23)8-14(24)7-12)27-18-17-15(25-10-26-18)9-16(31-17)19(29)28-2-4-30-5-3-28;1-10(13-5-14(18(19,20)21)7-15(22)6-13)24-17-16-4-12(8-23-3)9-27(16)26-11(2)25-17;1-9(11-4-12(17(18,19)20)6-13(21)5-11)22-16-15-7-14(26-3)8-25(15)24-10(2)23-16/h6-8,10-14H,2-5,9,25H2,1H3,(H,26,27,28);6-11H,2-5,25H2,1H3,(H,26,28);6-11H,2-5,24H2,1H3,(H,25,26,27);4-7,9-10,23H,8,22H2,1-3H3,(H,24,25,26);4-9H,21H2,1-3H3,(H,22,23,24)/t13-;2*11-;10-;9-/m11111/s1.
What are the key properties of [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 2067.55 g/mol, XLogP of 20.31, 22 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 165084232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).