[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C107H116F15N27O — CID 164990194

IUPAC[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC=C(C)N1CC=C(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)ncnn3c2)CC1.C[C@@H](Nc1nccn2cc(C(=O)N3CCN(C)CC3)nc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnn2cc(C3=CCCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnn2cc(C3=CCCCC3)cc12)c1cccc(C(F)(F)F)c1.C[C@@H](Nc1ncnn2cc(C3CCCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C23H25F3N6.C21H24F3N7O.C21H24F3N5.C21H22F3N5.C21H21F3N4/c1-14(2)31-6-4-16(5-7-31)18-10-21-22(28-13-29-32(21)12-18)30-15(3)17-8-19(23(24,25)26)11-20(27)9-17;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;2*1-13(15-7-17(21(22,23)24)10-18(25)8-15)28-20-19-9-16(11-29(19)27-12-26-20)14-5-3-2-4-6-14;1-14(16-8-5-9-18(10-16)21(22,23)24)27-20-19-11-17(12-28(19)26-13-25-20)15-6-3-2-4-7-15/h4,8-13,15H,1,5-7,27H2,2-3H3,(H,28,29,30);3-4,9-13H,5-8,25H2,1-2H3,(H,26,27);7-14H,2-6,25H2,1H3,(H,26,27,28);5,7-13H,2-4,6,25H2,1H3,(H,26,27,28);5-6,8-14H,2-4,7H2,1H3,(H,25,26,27)/t15-;3*13-;14-/m11111/s1
InChIKeyGSZLIEGIGDUTEV-UOFZBKPDSA-N
MW2081.26 g/mol
LogP24.91
Rot. Bonds21

About [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-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;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 164990194) has the molecular formula C107H116F15N27O and a molecular weight of 2081.26 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;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-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;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID164990194
Molecular FormulaC107H116F15N27O
Molecular Weight2081.26 g/mol
Exact Mass2079.96
IUPAC Name[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC=C(C)N1CC=C(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)ncnn3c2)CC1.C[C@@H](Nc1nccn2cc(C(=O)N3CCN(C)CC3)nc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnn2cc(C3=CCCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnn2cc(C3=CCCCC3)cc12)c1cccc(C(F)(F)F)c1.C[C@@H](Nc1ncnn2cc(C3CCCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C23H25F3N6.C21H24F3N7O.C21H24F3N5.C21H22F3N5.C21H21F3N4/c1-14(2)31-6-4-16(5-7-31)18-10-21-22(28-13-29-32(21)12-18)30-15(3)17-8-19(23(24,25)26)11-20(27)9-17;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;2*1-13(15-7-17(21(22,23)24)10-18(25)8-15)28-20-19-9-16(11-29(19)27-12-26-20)14-5-3-2-4-6-14;1-14(16-8-5-9-18(10-16)21(22,23)24)27-20-19-11-17(12-28(19)26-13-25-20)15-6-3-2-4-7-15/h4,8-13,15H,1,5-7,27H2,2-3H3,(H,28,29,30);3-4,9-13H,5-8,25H2,1-2H3,(H,26,27);7-14H,2-6,25H2,1H3,(H,26,27,28);5,7-13H,2-4,6,25H2,1H3,(H,26,27,28);5-6,8-14H,2-4,7H2,1H3,(H,25,26,27)/t15-;3*13-;14-/m11111/s1
InChIKeyGSZLIEGIGDUTEV-UOFZBKPDSA-N
XLogP24.91
TPSA341.97 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002081.26
LogP ≤ 524.91
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

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;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-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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Launch Full Analysis

Related Compounds

N-{3-[7-(1-{1-[(1-Methyl-1H-pyrazol-4-yl)carbonyl]piperidin-4-yl}-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl}-N'-(2,2,2-trifluoroethyl)urea
CID 57387664
N-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide
CID 57388167
4-[(1R,5S)-3-[7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N'-[3-(dimethylamino)propyl]-N-ethyltriazole-2-carboximidamide
CID 68273689
N-[3-[[3,5-difluoro-6-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide
CID 76534137
4-[3-[7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N'-[3-(dimethylamino)propyl]-N-ethyltriazole-2-carboximidamide
CID 77447995
N-[(1R,3S)-3-[[5-fluoro-2-(1-tritylpyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-1-methyl-imidazole-4-carboxamide
CID 86707190
8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)pyridin-2-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]pyridin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 123170184
1-[6-methyl-2-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]pyrimidin-4-yl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123415167
N-pyrimidin-4-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]-7-[[6-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]indazol-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123415846
N-[6-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]-8-[3-fluoro-1-[[6-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]pyrrolidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 123737199
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
8-methyl-N-[1-[3-(pyrimidin-4-ylcarbamoyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyridazin-1-ium-3-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 124011548

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;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-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;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 164990194) is [8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-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;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-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;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is C=C(C)N1CC=C(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)ncnn3c2)CC1.C[C@@H](Nc1nccn2cc(C(=O)N3CCN(C)CC3)nc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnn2cc(C3=CCCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnn2cc(C3=CCCCC3)cc12)c1cccc(C(F)(F)F)c1.C[C@@H](Nc1ncnn2cc(C3CCCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.
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;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is GSZLIEGIGDUTEV-UOFZBKPDSA-N. The full InChI is InChI=1S/C23H25F3N6.C21H24F3N7O.C21H24F3N5.C21H22F3N5.C21H21F3N4/c1-14(2)31-6-4-16(5-7-31)18-10-21-22(28-13-29-32(21)12-18)30-15(3)17-8-19(23(24,25)26)11-20(27)9-17;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;2*1-13(15-7-17(21(22,23)24)10-18(25)8-15)28-20-19-9-16(11-29(19)27-12-26-20)14-5-3-2-4-6-14;1-14(16-8-5-9-18(10-16)21(22,23)24)27-20-19-11-17(12-28(19)26-13-25-20)15-6-3-2-4-7-15/h4,8-13,15H,1,5-7,27H2,2-3H3,(H,28,29,30);3-4,9-13H,5-8,25H2,1-2H3,(H,26,27);7-14H,2-6,25H2,1H3,(H,26,27,28);5,7-13H,2-4,6,25H2,1H3,(H,26,27,28);5-6,8-14H,2-4,7H2,1H3,(H,25,26,27)/t15-;3*13-;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;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-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;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 2081.26 g/mol, XLogP of 24.91, 21 rotatable bonds, 9 hydrogen bond donors, and 27 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;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 164990194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).