tert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine

C148H181ClF12N28O13S4 — CID 158070904

IUPACtert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine
SMILESCC(C)(C)OC(=O)N1CCC2(CCN(c3nc(Cl)nc4sc(CC(F)(F)F)cc34)C2)C1.COc1ccc(CN)cc1.COc1ccc(CNc2nc(N3CCC4(CCN(C(=O)OC(C)(C)C)C4)C3)c3cc(CC(F)(F)F)sc3n2)cc1.COc1ccc(CNc2nc(N3CCC4(CCN(Cc5ccc6c(cc(C#N)n6C[C@H](C)N6CCN(C(=O)OC(C)(C)C)CC6)c5C)C4)C3)c3cc(CC(F)(F)F)sc3n2)cc1.COc1ccc(CNc2nc(N3CCC4(CCNC4)C3)c3cc(CC(F)(F)F)sc3n2)cc1.Cc1c(C=O)ccc2c1cc(C#N)n2C[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C46H56F3N9O3S.C28H34F3N5O3S.C23H26F3N5OS.C23H30N4O3.C20H24ClF3N4O2S.C8H11NO/c1-30(55-17-19-56(20-18-55)43(59)61-44(3,4)5)26-58-34(24-50)21-37-31(2)33(9-12-39(37)58)27-54-15-13-45(28-54)14-16-57(29-45)40-38-22-36(23-46(47,48)49)62-41(38)53-42(52-40)51-25-32-7-10-35(60-6)11-8-32;1-26(2,3)39-25(37)36-12-10-27(17-36)9-11-35(16-27)22-21-13-20(14-28(29,30)31)40-23(21)34-24(33-22)32-15-18-5-7-19(38-4)8-6-18;1-32-16-4-2-15(3-5-16)12-28-21-29-19(31-9-7-22(14-31)6-8-27-13-22)18-10-17(11-23(24,25)26)33-20(18)30-21;1-16(25-8-10-26(11-9-25)22(29)30-23(3,4)5)14-27-19(13-24)12-20-17(2)18(15-28)6-7-21(20)27;1-18(2,3)30-17(29)28-7-5-19(11-28)4-6-27(10-19)14-13-8-12(9-20(22,23)24)31-15(13)26-16(21)25-14;1-10-8-4-2-7(6-9)3-5-8/h7-12,21-22,30H,13-20,23,25-29H2,1-6H3,(H,51,52,53);5-8,13H,9-12,14-17H2,1-4H3,(H,32,33,34);2-5,10,27H,6-9,11-14H2,1H3,(H,28,29,30);6-7,12,15-16H,8-11,14H2,1-5H3;8H,4-7,9-11H2,1-3H3;2-5H,6,9H2,1H3/t30-,45?;;;16-;;/m0..0../s1
InChIKeyFLUQHCGHSMHPKG-CMRWVVKLSA-N
MW2951.96 g/mol
LogP29.47
Rot. Bonds31

About tert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine

tert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine (PubChem CID 158070904) has the molecular formula C148H181ClF12N28O13S4 and a molecular weight of 2951.96 g/mol. Its IUPAC name is tert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Nametert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine
PubChem CID158070904
Molecular FormulaC148H181ClF12N28O13S4
Molecular Weight2951.96 g/mol
Exact Mass2949.27
IUPAC Nametert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine
SMILESCC(C)(C)OC(=O)N1CCC2(CCN(c3nc(Cl)nc4sc(CC(F)(F)F)cc34)C2)C1.COc1ccc(CN)cc1.COc1ccc(CNc2nc(N3CCC4(CCN(C(=O)OC(C)(C)C)C4)C3)c3cc(CC(F)(F)F)sc3n2)cc1.COc1ccc(CNc2nc(N3CCC4(CCN(Cc5ccc6c(cc(C#N)n6C[C@H](C)N6CCN(C(=O)OC(C)(C)C)CC6)c5C)C4)C3)c3cc(CC(F)(F)F)sc3n2)cc1.COc1ccc(CNc2nc(N3CCC4(CCNC4)C3)c3cc(CC(F)(F)F)sc3n2)cc1.Cc1c(C=O)ccc2c1cc(C#N)n2C[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C46H56F3N9O3S.C28H34F3N5O3S.C23H26F3N5OS.C23H30N4O3.C20H24ClF3N4O2S.C8H11NO/c1-30(55-17-19-56(20-18-55)43(59)61-44(3,4)5)26-58-34(24-50)21-37-31(2)33(9-12-39(37)58)27-54-15-13-45(28-54)14-16-57(29-45)40-38-22-36(23-46(47,48)49)62-41(38)53-42(52-40)51-25-32-7-10-35(60-6)11-8-32;1-26(2,3)39-25(37)36-12-10-27(17-36)9-11-35(16-27)22-21-13-20(14-28(29,30)31)40-23(21)34-24(33-22)32-15-18-5-7-19(38-4)8-6-18;1-32-16-4-2-15(3-5-16)12-28-21-29-19(31-9-7-22(14-31)6-8-27-13-22)18-10-17(11-23(24,25)26)33-20(18)30-21;1-16(25-8-10-26(11-9-25)22(29)30-23(3,4)5)14-27-19(13-24)12-20-17(2)18(15-28)6-7-21(20)27;1-18(2,3)30-17(29)28-7-5-19(11-28)4-6-27(10-19)14-13-8-12(9-20(22,23)24)31-15(13)26-16(21)25-14;1-10-8-4-2-7(6-9)3-5-8/h7-12,21-22,30H,13-20,23,25-29H2,1-6H3,(H,51,52,53);5-8,13H,9-12,14-17H2,1-4H3,(H,32,33,34);2-5,10,27H,6-9,11-14H2,1H3,(H,28,29,30);6-7,12,15-16H,8-11,14H2,1-5H3;8H,4-7,9-11H2,1-3H3;2-5H,6,9H2,1H3/t30-,45?;;;16-;;/m0..0../s1
InChIKeyFLUQHCGHSMHPKG-CMRWVVKLSA-N
XLogP29.47
TPSA429.53 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds31
Heavy Atoms206
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002951.96
LogP ≤ 529.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine?
The IUPAC name of tert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine (CID 158070904) is tert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine.
What is the SMILES notation for tert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine?
The canonical SMILES for tert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine is CC(C)(C)OC(=O)N1CCC2(CCN(c3nc(Cl)nc4sc(CC(F)(F)F)cc34)C2)C1.COc1ccc(CN)cc1.COc1ccc(CNc2nc(N3CCC4(CCN(C(=O)OC(C)(C)C)C4)C3)c3cc(CC(F)(F)F)sc3n2)cc1.COc1ccc(CNc2nc(N3CCC4(CCN(Cc5ccc6c(cc(C#N)n6C[C@H](C)N6CCN(C(=O)OC(C)(C)C)CC6)c5C)C4)C3)c3cc(CC(F)(F)F)sc3n2)cc1.COc1ccc(CNc2nc(N3CCC4(CCNC4)C3)c3cc(CC(F)(F)F)sc3n2)cc1.Cc1c(C=O)ccc2c1cc(C#N)n2C[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine?
The InChIKey is FLUQHCGHSMHPKG-CMRWVVKLSA-N. The full InChI is InChI=1S/C46H56F3N9O3S.C28H34F3N5O3S.C23H26F3N5OS.C23H30N4O3.C20H24ClF3N4O2S.C8H11NO/c1-30(55-17-19-56(20-18-55)43(59)61-44(3,4)5)26-58-34(24-50)21-37-31(2)33(9-12-39(37)58)27-54-15-13-45(28-54)14-16-57(29-45)40-38-22-36(23-46(47,48)49)62-41(38)53-42(52-40)51-25-32-7-10-35(60-6)11-8-32;1-26(2,3)39-25(37)36-12-10-27(17-36)9-11-35(16-27)22-21-13-20(14-28(29,30)31)40-23(21)34-24(33-22)32-15-18-5-7-19(38-4)8-6-18;1-32-16-4-2-15(3-5-16)12-28-21-29-19(31-9-7-22(14-31)6-8-27-13-22)18-10-17(11-23(24,25)26)33-20(18)30-21;1-16(25-8-10-26(11-9-25)22(29)30-23(3,4)5)14-27-19(13-24)12-20-17(2)18(15-28)6-7-21(20)27;1-18(2,3)30-17(29)28-7-5-19(11-28)4-6-27(10-19)14-13-8-12(9-20(22,23)24)31-15(13)26-16(21)25-14;1-10-8-4-2-7(6-9)3-5-8/h7-12,21-22,30H,13-20,23,25-29H2,1-6H3,(H,51,52,53);5-8,13H,9-12,14-17H2,1-4H3,(H,32,33,34);2-5,10,27H,6-9,11-14H2,1H3,(H,28,29,30);6-7,12,15-16H,8-11,14H2,1-5H3;8H,4-7,9-11H2,1-3H3;2-5H,6,9H2,1H3/t30-,45?;;;16-;;/m0..0../s1.
What are the key properties of tert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine?
tert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine has a molecular weight of 2951.96 g/mol, XLogP of 29.47, 31 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-5-[[2-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methylindol-1-yl]propan-2-yl]piperazine-1-carboxylate;tert-butyl 7-[2-[(4-methoxyphenyl)methylamino]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine;(4-methoxyphenyl)methanamine is sourced from PubChem (CID 158070904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).