3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate

C213H267F11N44O26S7 — CID 167598695

IUPAC3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate
SMILESCC(C)(C)OC(=O)NC1CN(c2ccc3c(n2)CC[C@H](N)C3)CC1CF.CC(C)(C)OC(=O)NC1CN(c2ccc3c(n2)CC[C@H](NC(=O)OCc2ccccc2)C3)CC1CF.CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H]1CF.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5CC(CF)C(NC(=O)OC(C)(C)C)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](CF)[C@@H](N)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](CF)[C@@H](NC(=O)OC(C)(C)C)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](CF)[C@H](N)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](CF)[C@H](NC(=O)OC(C)(C)C)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.O=C(N[C@H]1CCc2nc(OS(=O)(=O)C(F)(F)F)ccc2C1)OCc1ccccc1
InChIInChI=1S/3C28H35FN6O3S.C27H35FN4O4.2C23H27FN6OS.C19H29FN4O2.C18H17F3N2O5S.C10H19FN2O2.C9H8N2O2S/c3*1-15-5-8-19-23(30)24(39-26(19)31-15)25(36)32-18-7-9-20-16(11-18)6-10-22(33-20)35-13-17(12-29)21(14-35)34-27(37)38-28(2,3)4;1-27(2,3)36-26(34)31-23-16-32(15-20(23)14-28)24-12-9-19-13-21(10-11-22(19)30-24)29-25(33)35-17-18-7-5-4-6-8-18;2*1-12-2-5-16-20(26)21(32-23(16)27-12)22(31)28-15-4-6-18-13(8-15)3-7-19(29-18)30-10-14(9-24)17(25)11-30;1-19(2,3)26-18(25)23-16-11-24(10-13(16)9-20)17-7-4-12-8-14(21)5-6-15(12)22-17;19-18(20,21)29(25,26)28-16-9-6-13-10-14(7-8-15(13)23-16)22-17(24)27-11-12-4-2-1-3-5-12;1-10(2,3)15-9(14)13-8-6-12-5-7(8)4-11;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h3*5-6,8,10,17-18,21H,7,9,11-14,30H2,1-4H3,(H,32,36)(H,34,37);4-9,12,20-21,23H,10-11,13-17H2,1-3H3,(H,29,33)(H,31,34);2*2-3,5,7,14-15,17H,4,6,8-11,25-26H2,1H3,(H,28,31);4,7,13-14,16H,5-6,8-11,21H2,1-3H3,(H,23,25);1-6,9,14H,7-8,10-11H2,(H,22,24);7-8,12H,4-6H2,1-3H3,(H,13,14);2-3H,10H2,1H3,(H,12,13)/t17?,18-,21?;17-,18+,21+;17-,18-,21+;20?,21-,23?;14-,15+,17+;14-,15-,17+;13?,14-,16?;14-;7-,8+;/m010010000./s1
InChIKeyJKUJFFHVMBCNTC-REXCNQQLSA-N
MW4293.21 g/mol
LogP30.12
Rot. Bonds40

About 3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate

3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate (PubChem CID 167598695) has the molecular formula C213H267F11N44O26S7 and a molecular weight of 4293.21 g/mol. Its IUPAC name is 3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate
PubChem CID167598695
Molecular FormulaC213H267F11N44O26S7
Molecular Weight4293.21 g/mol
Exact Mass4289.88
IUPAC Name3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate
SMILESCC(C)(C)OC(=O)NC1CN(c2ccc3c(n2)CC[C@H](N)C3)CC1CF.CC(C)(C)OC(=O)NC1CN(c2ccc3c(n2)CC[C@H](NC(=O)OCc2ccccc2)C3)CC1CF.CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H]1CF.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5CC(CF)C(NC(=O)OC(C)(C)C)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](CF)[C@@H](N)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](CF)[C@@H](NC(=O)OC(C)(C)C)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](CF)[C@H](N)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](CF)[C@H](NC(=O)OC(C)(C)C)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.O=C(N[C@H]1CCc2nc(OS(=O)(=O)C(F)(F)F)ccc2C1)OCc1ccccc1
InChIInChI=1S/3C28H35FN6O3S.C27H35FN4O4.2C23H27FN6OS.C19H29FN4O2.C18H17F3N2O5S.C10H19FN2O2.C9H8N2O2S/c3*1-15-5-8-19-23(30)24(39-26(19)31-15)25(36)32-18-7-9-20-16(11-18)6-10-22(33-20)35-13-17(12-29)21(14-35)34-27(37)38-28(2,3)4;1-27(2,3)36-26(34)31-23-16-32(15-20(23)14-28)24-12-9-19-13-21(10-11-22(19)30-24)29-25(33)35-17-18-7-5-4-6-8-18;2*1-12-2-5-16-20(26)21(32-23(16)27-12)22(31)28-15-4-6-18-13(8-15)3-7-19(29-18)30-10-14(9-24)17(25)11-30;1-19(2,3)26-18(25)23-16-11-24(10-13(16)9-20)17-7-4-12-8-14(21)5-6-15(12)22-17;19-18(20,21)29(25,26)28-16-9-6-13-10-14(7-8-15(13)23-16)22-17(24)27-11-12-4-2-1-3-5-12;1-10(2,3)15-9(14)13-8-6-12-5-7(8)4-11;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h3*5-6,8,10,17-18,21H,7,9,11-14,30H2,1-4H3,(H,32,36)(H,34,37);4-9,12,20-21,23H,10-11,13-17H2,1-3H3,(H,29,33)(H,31,34);2*2-3,5,7,14-15,17H,4,6,8-11,25-26H2,1H3,(H,28,31);4,7,13-14,16H,5-6,8-11,21H2,1-3H3,(H,23,25);1-6,9,14H,7-8,10-11H2,(H,22,24);7-8,12H,4-6H2,1-3H3,(H,13,14);2-3H,10H2,1H3,(H,12,13)/t17?,18-,21?;17-,18+,21+;17-,18-,21+;20?,21-,23?;14-,15+,17+;14-,15-,17+;13?,14-,16?;14-;7-,8+;/m010010000./s1
InChIKeyJKUJFFHVMBCNTC-REXCNQQLSA-N
XLogP30.12
TPSA982.16 Ų
H-Bond Donors24
H-Bond Acceptors62
Rotatable Bonds40
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004293.21
LogP ≤ 530.12
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1062

Analyze 3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate with MolForge

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What is the IUPAC name of 3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate?
The IUPAC name of 3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate (CID 167598695) is 3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate.
What is the SMILES notation for 3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate?
The canonical SMILES for 3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate is CC(C)(C)OC(=O)NC1CN(c2ccc3c(n2)CC[C@H](N)C3)CC1CF.CC(C)(C)OC(=O)NC1CN(c2ccc3c(n2)CC[C@H](NC(=O)OCc2ccccc2)C3)CC1CF.CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H]1CF.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5CC(CF)C(NC(=O)OC(C)(C)C)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](CF)[C@@H](N)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](CF)[C@@H](NC(=O)OC(C)(C)C)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](CF)[C@H](N)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](CF)[C@H](NC(=O)OC(C)(C)C)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.O=C(N[C@H]1CCc2nc(OS(=O)(=O)C(F)(F)F)ccc2C1)OCc1ccccc1.
What is the InChIKey of 3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate?
The InChIKey is JKUJFFHVMBCNTC-REXCNQQLSA-N. The full InChI is InChI=1S/3C28H35FN6O3S.C27H35FN4O4.2C23H27FN6OS.C19H29FN4O2.C18H17F3N2O5S.C10H19FN2O2.C9H8N2O2S/c3*1-15-5-8-19-23(30)24(39-26(19)31-15)25(36)32-18-7-9-20-16(11-18)6-10-22(33-20)35-13-17(12-29)21(14-35)34-27(37)38-28(2,3)4;1-27(2,3)36-26(34)31-23-16-32(15-20(23)14-28)24-12-9-19-13-21(10-11-22(19)30-24)29-25(33)35-17-18-7-5-4-6-8-18;2*1-12-2-5-16-20(26)21(32-23(16)27-12)22(31)28-15-4-6-18-13(8-15)3-7-19(29-18)30-10-14(9-24)17(25)11-30;1-19(2,3)26-18(25)23-16-11-24(10-13(16)9-20)17-7-4-12-8-14(21)5-6-15(12)22-17;19-18(20,21)29(25,26)28-16-9-6-13-10-14(7-8-15(13)23-16)22-17(24)27-11-12-4-2-1-3-5-12;1-10(2,3)15-9(14)13-8-6-12-5-7(8)4-11;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h3*5-6,8,10,17-18,21H,7,9,11-14,30H2,1-4H3,(H,32,36)(H,34,37);4-9,12,20-21,23H,10-11,13-17H2,1-3H3,(H,29,33)(H,31,34);2*2-3,5,7,14-15,17H,4,6,8-11,25-26H2,1H3,(H,28,31);4,7,13-14,16H,5-6,8-11,21H2,1-3H3,(H,23,25);1-6,9,14H,7-8,10-11H2,(H,22,24);7-8,12H,4-6H2,1-3H3,(H,13,14);2-3H,10H2,1H3,(H,12,13)/t17?,18-,21?;17-,18+,21+;17-,18-,21+;20?,21-,23?;14-,15+,17+;14-,15-,17+;13?,14-,16?;14-;7-,8+;/m010010000./s1.
What are the key properties of 3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate?
3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate has a molecular weight of 4293.21 g/mol, XLogP of 30.12, 40 rotatable bonds, 24 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;benzyl N-[(6S)-2-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]carbamate;tert-butyl N-[1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R,4R)-1-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-amino-5,6,7,8-tetrahydroquinolin-2-yl]-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamate;[(6S)-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydroquinolin-2-yl] trifluoromethanesulfonate is sourced from PubChem (CID 167598695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).