[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C107H118F15N23O3S3 — CID 165110860

IUPAC[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC1CCC(O)(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)ncnc3s2)CC1.C[C@@H](Nc1nccn2cc(C(=O)N3CCN(C)CC3)nc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnc2cc(C3=CCCCC3)sc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnn2cc(N3CCCCC3)cc12)c1cccc(C(F)(F)F)c1.Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2sc(C3(O)CCC(C)CC3)cc2n1
InChIInChI=1S/C23H26F3N3OS.C22H25F3N4OS.C21H24F3N7O.C21H21F3N4S.C20H22F3N5/c1-13-7-9-22(30,10-8-13)19-12-18-20(31-19)21(29-15(3)28-18)27-14(2)16-5-4-6-17(11-16)23(24,25)26;1-12-3-5-21(30,6-4-12)18-10-17-19(27-11-28-20(17)31-18)29-13(2)14-7-15(22(23,24)25)9-16(26)8-14;1-13(14-9-15(21(22,23)24)11-16(25)10-14)27-18-19-28-17(12-31(19)4-3-26-18)20(32)30-7-5-29(2)6-8-30;1-12(14-7-15(21(22,23)24)9-16(25)8-14)28-20-19-17(26-11-27-20)10-18(29-19)13-5-3-2-4-6-13;1-14(15-6-5-7-16(10-15)20(21,22)23)26-19-18-11-17(12-28(18)25-13-24-19)27-8-3-2-4-9-27/h4-6,11-14,30H,7-10H2,1-3H3,(H,27,28,29);7-13,30H,3-6,26H2,1-2H3,(H,27,28,29);3-4,9-13H,5-8,25H2,1-2H3,(H,26,27);5,7-12H,2-4,6,25H2,1H3,(H,26,27,28);5-7,10-14H,2-4,8-9H2,1H3,(H,24,25,26)/t13?,14-,22?;12?,13-,21?;13-;12-;14-/m11111/s1
InChIKeyZXOMTKXXIKYHNC-MRJURFKASA-N
MW2155.45 g/mol
LogP26.68
Rot. Bonds20

About [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 165110860) has the molecular formula C107H118F15N23O3S3 and a molecular weight of 2155.45 g/mol. Its IUPAC name is [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID165110860
Molecular FormulaC107H118F15N23O3S3
Molecular Weight2155.45 g/mol
Exact Mass2153.87
IUPAC Name[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC1CCC(O)(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)ncnc3s2)CC1.C[C@@H](Nc1nccn2cc(C(=O)N3CCN(C)CC3)nc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnc2cc(C3=CCCCC3)sc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnn2cc(N3CCCCC3)cc12)c1cccc(C(F)(F)F)c1.Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2sc(C3(O)CCC(C)CC3)cc2n1
InChIInChI=1S/C23H26F3N3OS.C22H25F3N4OS.C21H24F3N7O.C21H21F3N4S.C20H22F3N5/c1-13-7-9-22(30,10-8-13)19-12-18-20(31-19)21(29-15(3)28-18)27-14(2)16-5-4-6-17(11-16)23(24,25)26;1-12-3-5-21(30,6-4-12)18-10-17-19(27-11-28-20(17)31-18)29-13(2)14-7-15(22(23,24)25)9-16(26)8-14;1-13(14-9-15(21(22,23)24)11-16(25)10-14)27-18-19-28-17(12-31(19)4-3-26-18)20(32)30-7-5-29(2)6-8-30;1-12(14-7-15(21(22,23)24)9-16(25)8-14)28-20-19-17(26-11-27-20)10-18(29-19)13-5-3-2-4-6-13;1-14(15-6-5-7-16(10-15)20(21,22)23)26-19-18-11-17(12-28(18)25-13-24-19)27-8-3-2-4-9-27/h4-6,11-14,30H,7-10H2,1-3H3,(H,27,28,29);7-13,30H,3-6,26H2,1-2H3,(H,27,28,29);3-4,9-13H,5-8,25H2,1-2H3,(H,26,27);5,7-12H,2-4,6,25H2,1H3,(H,26,27,28);5-7,10-14H,2-4,8-9H2,1H3,(H,24,25,26)/t13?,14-,22?;12?,13-,21?;13-;12-;14-/m11111/s1
InChIKeyZXOMTKXXIKYHNC-MRJURFKASA-N
XLogP26.68
TPSA343.18 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002155.45
LogP ≤ 526.68
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

[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-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide;6-(cyclohexen-1-yl)-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-methoxy-1-[4-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[6-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 165065223
4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide;2-methoxy-1-[4-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;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 165071895
[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-chloropyrrolo[2,1-f][1,2,4]triazin-6-yl]-morpholin-4-ylmethanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-4-[1-(dimethylamino)ethenyl]cyclohexan-1-ol;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 165091568
1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-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]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 165092701

Frequently Asked Questions

What is the IUPAC name of [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 165110860) is [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]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]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CC1CCC(O)(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)ncnc3s2)CC1.C[C@@H](Nc1nccn2cc(C(=O)N3CCN(C)CC3)nc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnc2cc(C3=CCCCC3)sc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnn2cc(N3CCCCC3)cc12)c1cccc(C(F)(F)F)c1.Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2sc(C3(O)CCC(C)CC3)cc2n1.
What is the InChIKey of [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ZXOMTKXXIKYHNC-MRJURFKASA-N. The full InChI is InChI=1S/C23H26F3N3OS.C22H25F3N4OS.C21H24F3N7O.C21H21F3N4S.C20H22F3N5/c1-13-7-9-22(30,10-8-13)19-12-18-20(31-19)21(29-15(3)28-18)27-14(2)16-5-4-6-17(11-16)23(24,25)26;1-12-3-5-21(30,6-4-12)18-10-17-19(27-11-28-20(17)31-18)29-13(2)14-7-15(22(23,24)25)9-16(26)8-14;1-13(14-9-15(21(22,23)24)11-16(25)10-14)27-18-19-28-17(12-31(19)4-3-26-18)20(32)30-7-5-29(2)6-8-30;1-12(14-7-15(21(22,23)24)9-16(25)8-14)28-20-19-17(26-11-27-20)10-18(29-19)13-5-3-2-4-6-13;1-14(15-6-5-7-16(10-15)20(21,22)23)26-19-18-11-17(12-28(18)25-13-24-19)27-8-3-2-4-9-27/h4-6,11-14,30H,7-10H2,1-3H3,(H,27,28,29);7-13,30H,3-6,26H2,1-2H3,(H,27,28,29);3-4,9-13H,5-8,25H2,1-2H3,(H,26,27);5,7-12H,2-4,6,25H2,1H3,(H,26,27,28);5-7,10-14H,2-4,8-9H2,1H3,(H,24,25,26)/t13?,14-,22?;12?,13-,21?;13-;12-;14-/m11111/s1.
What are the key properties of [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 2155.45 g/mol, XLogP of 26.68, 20 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-1-ol;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol;6-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 165110860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).