[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone

C105H110F18N26O4S — CID 165063065

IUPAC[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone
SMILESC[C@@H](/N=C1\NC=NC2N=C(C(=O)N3CCOCC3)NC12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1cc(C(F)(F)F)cn2nc(C3=CCCCC3)nc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1cccc2nc(C3=CCCCC3)nn12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1nccc2sc(C3=CCCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.Cc1cn2nc(C(=O)N3CCOCC3)cc2c(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C22H21F6N5.C22H22F3N3S.C21H23F3N6O2.C21H22F3N5.C19H22F3N7O2/c1-12(14-7-15(21(23,24)25)9-17(29)8-14)30-18-10-16(22(26,27)28)11-33-20(18)31-19(32-33)13-5-3-2-4-6-13;1-13(15-9-16(22(23,24)25)11-17(26)10-15)28-21-18-12-20(14-5-3-2-4-6-14)29-19(18)7-8-27-21;1-12-11-30-18(10-17(28-30)20(31)29-3-5-32-6-4-29)19(26-12)27-13(2)14-7-15(21(22,23)24)9-16(25)8-14;1-13(15-10-16(21(22,23)24)12-17(25)11-15)26-18-8-5-9-19-27-20(28-29(18)19)14-6-3-2-4-7-14;1-10(11-6-12(19(20,21)22)8-13(23)7-11)26-15-14-16(25-9-24-15)28-17(27-14)18(30)29-2-4-31-5-3-29/h5,7-12,30H,2-4,6,29H2,1H3;5,7-13H,2-4,6,26H2,1H3,(H,27,28);7-11,13H,3-6,25H2,1-2H3,(H,26,27);5-6,8-13,26H,2-4,7,25H2,1H3;6-10,14,16H,2-5,23H2,1H3,(H,27,28)(H,24,25,26)/t12-;3*13-;10-,14?,16?/m11111/s1
InChIKeyRNFTWPHWGZXEKT-WXNXKNALSA-N
MW2174.24 g/mol
LogP23.19
Rot. Bonds19

About [4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone

[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone (PubChem CID 165063065) has the molecular formula C105H110F18N26O4S and a molecular weight of 2174.24 g/mol. Its IUPAC name is [4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone
PubChem CID165063065
Molecular FormulaC105H110F18N26O4S
Molecular Weight2174.24 g/mol
Exact Mass2172.86
IUPAC Name[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone
SMILESC[C@@H](/N=C1\NC=NC2N=C(C(=O)N3CCOCC3)NC12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1cc(C(F)(F)F)cn2nc(C3=CCCCC3)nc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1cccc2nc(C3=CCCCC3)nn12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1nccc2sc(C3=CCCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.Cc1cn2nc(C(=O)N3CCOCC3)cc2c(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C22H21F6N5.C22H22F3N3S.C21H23F3N6O2.C21H22F3N5.C19H22F3N7O2/c1-12(14-7-15(21(23,24)25)9-17(29)8-14)30-18-10-16(22(26,27)28)11-33-20(18)31-19(32-33)13-5-3-2-4-6-13;1-13(15-9-16(22(23,24)25)11-17(26)10-15)28-21-18-12-20(14-5-3-2-4-6-14)29-19(18)7-8-27-21;1-12-11-30-18(10-17(28-30)20(31)29-3-5-32-6-4-29)19(26-12)27-13(2)14-7-15(21(22,23)24)9-16(25)8-14;1-13(15-10-16(21(22,23)24)12-17(25)11-15)26-18-8-5-9-19-27-20(28-29(18)19)14-6-3-2-4-7-14;1-10(11-6-12(19(20,21)22)8-13(23)7-11)26-15-14-16(25-9-24-15)28-17(27-14)18(30)29-2-4-31-5-3-29/h5,7-12,30H,2-4,6,29H2,1H3;5,7-13H,2-4,6,26H2,1H3,(H,27,28);7-11,13H,3-6,25H2,1-2H3,(H,26,27);5-6,8-13,26H,2-4,7,25H2,1H3;6-10,14,16H,2-5,23H2,1H3,(H,27,28)(H,24,25,26)/t12-;3*13-;10-,14?,16?/m11111/s1
InChIKeyRNFTWPHWGZXEKT-WXNXKNALSA-N
XLogP23.19
TPSA401.90 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002174.24
LogP ≤ 523.19
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

1,3-dimethyl-N-[6-methyl-5-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)-3-pyridinyl]pyrazole-4-carboxamide;1-ethyl-3-methyl-N-[6-methyl-5-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)-3-pyridinyl]pyrazole-4-carboxamide;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(7-morpholin-4-yl-3H-benzimidazol-5-yl)-3-pyridinyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 157659753
2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158457455
8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one)
CID 158798655
N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(6-fluoro-3-pyridinyl)indazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-3-ylindazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-4-ylindazole-4-carboxamide;1-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 158867825
N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide
CID 159011746
N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 159155743
3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 159275399
1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[3,4-d]pyridazine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[3,4-d]pyridazine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[3,4-d]pyridazine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[3,4-d]pyridazine-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 159322771
N,N-dimethyl-2-[4-[[1-[2-[4-[[8-[8-(4,4,4-trifluorobutanoyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]acetamide;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(thiophene-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;4,4,4-trifluoro-3,3-dimethyl-1-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one;4,4,4-trifluoro-1-[3-[2-[[1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 159332943
CID 159555518
CID 159555518
3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 159972431
(6-methylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-methylthiadiazol-5-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 160019026

Frequently Asked Questions

What is the IUPAC name of [4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone (CID 165063065) is [4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone is C[C@@H](/N=C1\NC=NC2N=C(C(=O)N3CCOCC3)NC12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1cc(C(F)(F)F)cn2nc(C3=CCCCC3)nc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1cccc2nc(C3=CCCCC3)nn12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1nccc2sc(C3=CCCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.Cc1cn2nc(C(=O)N3CCOCC3)cc2c(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)n1.
What is the InChIKey of [4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone?
The InChIKey is RNFTWPHWGZXEKT-WXNXKNALSA-N. The full InChI is InChI=1S/C22H21F6N5.C22H22F3N3S.C21H23F3N6O2.C21H22F3N5.C19H22F3N7O2/c1-12(14-7-15(21(23,24)25)9-17(29)8-14)30-18-10-16(22(26,27)28)11-33-20(18)31-19(32-33)13-5-3-2-4-6-13;1-13(15-9-16(22(23,24)25)11-17(26)10-15)28-21-18-12-20(14-5-3-2-4-6-14)29-19(18)7-8-27-21;1-12-11-30-18(10-17(28-30)20(31)29-3-5-32-6-4-29)19(26-12)27-13(2)14-7-15(21(22,23)24)9-16(25)8-14;1-13(15-10-16(21(22,23)24)12-17(25)11-15)26-18-8-5-9-19-27-20(28-29(18)19)14-6-3-2-4-7-14;1-10(11-6-12(19(20,21)22)8-13(23)7-11)26-15-14-16(25-9-24-15)28-17(27-14)18(30)29-2-4-31-5-3-29/h5,7-12,30H,2-4,6,29H2,1H3;5,7-13H,2-4,6,26H2,1H3,(H,27,28);7-11,13H,3-6,25H2,1-2H3,(H,26,27);5-6,8-13,26H,2-4,7,25H2,1H3;6-10,14,16H,2-5,23H2,1H3,(H,27,28)(H,24,25,26)/t12-;3*13-;10-,14?,16?/m11111/s1.
What are the key properties of [4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone?
[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone has a molecular weight of 2174.24 g/mol, XLogP of 23.19, 19 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 165063065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).