N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide

C177H217F5N36O8S7 — CID 165008624

IUPACN-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCCNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)ccc12.CCNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)ccc12.CNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C(F)F)cc(C)c12.CNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)cc(C(F)(F)F)c12.CNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)cc(C)c12.CNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(CO)ccc12.Cc1ccc2c(NCCN(C)C)c(C(=O)NCCc3ccc(N4C[C@H]5CC[C@@H](C4)N5)cc3)sc2n1
InChIInChI=1S/C27H36N6OS.C26H33N5OS.C25H28F3N5OS.C25H29F2N5OS.2C25H31N5OS.C24H29N5O2S/c1-18-4-11-23-24(28-14-15-32(2)3)25(35-27(23)30-18)26(34)29-13-12-19-5-9-22(10-6-19)33-16-20-7-8-21(17-33)31-20;1-3-13-27-23-22-11-4-17(2)29-26(22)33-24(23)25(32)28-14-12-18-5-9-21(10-6-18)31-15-19-7-8-20(16-31)30-19;1-14-11-19(25(26,27)28)20-21(29-2)22(35-24(20)31-14)23(34)30-10-9-15-3-7-18(8-4-15)33-12-16-5-6-17(13-33)32-16;1-14-11-19(23(26)27)31-25-20(14)21(28-2)22(34-25)24(33)29-10-9-15-3-7-18(8-4-15)32-12-16-5-6-17(13-32)30-16;1-15-12-16(2)28-25-21(15)22(26-3)23(32-25)24(31)27-11-10-17-4-8-20(9-5-17)30-13-18-6-7-19(14-30)29-18;1-3-26-22-21-11-4-16(2)28-25(21)32-23(22)24(31)27-13-12-17-5-9-20(10-6-17)30-14-18-7-8-19(15-30)29-18;1-25-21-20-9-6-18(14-30)28-24(20)32-22(21)23(31)26-11-10-15-2-7-19(8-3-15)29-12-16-4-5-17(13-29)27-16/h4-6,9-11,20-21,28,31H,7-8,12-17H2,1-3H3,(H,29,34);4-6,9-11,19-20,27,30H,3,7-8,12-16H2,1-2H3,(H,28,32);3-4,7-8,11,16-17,29,32H,5-6,9-10,12-13H2,1-2H3,(H,30,34);3-4,7-8,11,16-17,23,28,30H,5-6,9-10,12-13H2,1-2H3,(H,29,33);4-5,8-9,12,18-19,26,29H,6-7,10-11,13-14H2,1-3H3,(H,27,31);4-6,9-11,18-19,26,29H,3,7-8,12-15H2,1-2H3,(H,27,31);2-3,6-9,16-17,25,27,30H,4-5,10-14H2,1H3,(H,26,31)/t20-,21+;19-,20+;2*16-,17+;2*18-,19+;16-,17+
InChIKeyJITMGELXPSWTHP-WHEMCZOKSA-N
MW3296.39 g/mol
LogP27.47
Rot. Bonds50

About N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide

N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 165008624) has the molecular formula C177H217F5N36O8S7 and a molecular weight of 3296.39 g/mol. Its IUPAC name is N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID165008624
Molecular FormulaC177H217F5N36O8S7
Molecular Weight3296.39 g/mol
Exact Mass3293.56
IUPAC NameN-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCCNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)ccc12.CCNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)ccc12.CNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C(F)F)cc(C)c12.CNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)cc(C(F)(F)F)c12.CNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)cc(C)c12.CNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(CO)ccc12.Cc1ccc2c(NCCN(C)C)c(C(=O)NCCc3ccc(N4C[C@H]5CC[C@@H](C4)N5)cc3)sc2n1
InChIInChI=1S/C27H36N6OS.C26H33N5OS.C25H28F3N5OS.C25H29F2N5OS.2C25H31N5OS.C24H29N5O2S/c1-18-4-11-23-24(28-14-15-32(2)3)25(35-27(23)30-18)26(34)29-13-12-19-5-9-22(10-6-19)33-16-20-7-8-21(17-33)31-20;1-3-13-27-23-22-11-4-17(2)29-26(22)33-24(23)25(32)28-14-12-18-5-9-21(10-6-18)31-15-19-7-8-20(16-31)30-19;1-14-11-19(25(26,27)28)20-21(29-2)22(35-24(20)31-14)23(34)30-10-9-15-3-7-18(8-4-15)33-12-16-5-6-17(13-33)32-16;1-14-11-19(23(26)27)31-25-20(14)21(28-2)22(34-25)24(33)29-10-9-15-3-7-18(8-4-15)32-12-16-5-6-17(13-32)30-16;1-15-12-16(2)28-25-21(15)22(26-3)23(32-25)24(31)27-11-10-17-4-8-20(9-5-17)30-13-18-6-7-19(14-30)29-18;1-3-26-22-21-11-4-16(2)28-25(21)32-23(22)24(31)27-13-12-17-5-9-20(10-6-17)30-14-18-7-8-19(15-30)29-18;1-25-21-20-9-6-18(14-30)28-24(20)32-22(21)23(31)26-11-10-15-2-7-19(8-3-15)29-12-16-4-5-17(13-29)27-16/h4-6,9-11,20-21,28,31H,7-8,12-17H2,1-3H3,(H,29,34);4-6,9-11,19-20,27,30H,3,7-8,12-16H2,1-2H3,(H,28,32);3-4,7-8,11,16-17,29,32H,5-6,9-10,12-13H2,1-2H3,(H,30,34);3-4,7-8,11,16-17,23,28,30H,5-6,9-10,12-13H2,1-2H3,(H,29,33);4-5,8-9,12,18-19,26,29H,6-7,10-11,13-14H2,1-3H3,(H,27,31);4-6,9-11,18-19,26,29H,3,7-8,12-15H2,1-2H3,(H,27,31);2-3,6-9,16-17,25,27,30H,4-5,10-14H2,1H3,(H,26,31)/t20-,21+;19-,20+;2*16-,17+;2*18-,19+;16-,17+
InChIKeyJITMGELXPSWTHP-WHEMCZOKSA-N
XLogP27.47
TPSA508.50 Ų
H-Bond Donors22
H-Bond Acceptors44
Rotatable Bonds50
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003296.39
LogP ≤ 527.47
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide (CID 165008624) is N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide is CCCNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)ccc12.CCNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)ccc12.CNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C(F)F)cc(C)c12.CNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)cc(C(F)(F)F)c12.CNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)cc(C)c12.CNc1c(C(=O)NCCc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(CO)ccc12.Cc1ccc2c(NCCN(C)C)c(C(=O)NCCc3ccc(N4C[C@H]5CC[C@@H](C4)N5)cc3)sc2n1.
What is the InChIKey of N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JITMGELXPSWTHP-WHEMCZOKSA-N. The full InChI is InChI=1S/C27H36N6OS.C26H33N5OS.C25H28F3N5OS.C25H29F2N5OS.2C25H31N5OS.C24H29N5O2S/c1-18-4-11-23-24(28-14-15-32(2)3)25(35-27(23)30-18)26(34)29-13-12-19-5-9-22(10-6-19)33-16-20-7-8-21(17-33)31-20;1-3-13-27-23-22-11-4-17(2)29-26(22)33-24(23)25(32)28-14-12-18-5-9-21(10-6-18)31-15-19-7-8-20(16-31)30-19;1-14-11-19(25(26,27)28)20-21(29-2)22(35-24(20)31-14)23(34)30-10-9-15-3-7-18(8-4-15)33-12-16-5-6-17(13-33)32-16;1-14-11-19(23(26)27)31-25-20(14)21(28-2)22(34-25)24(33)29-10-9-15-3-7-18(8-4-15)32-12-16-5-6-17(13-32)30-16;1-15-12-16(2)28-25-21(15)22(26-3)23(32-25)24(31)27-11-10-17-4-8-20(9-5-17)30-13-18-6-7-19(14-30)29-18;1-3-26-22-21-11-4-16(2)28-25(21)32-23(22)24(31)27-13-12-17-5-9-20(10-6-17)30-14-18-7-8-19(15-30)29-18;1-25-21-20-9-6-18(14-30)28-24(20)32-22(21)23(31)26-11-10-15-2-7-19(8-3-15)29-12-16-4-5-17(13-29)27-16/h4-6,9-11,20-21,28,31H,7-8,12-17H2,1-3H3,(H,29,34);4-6,9-11,19-20,27,30H,3,7-8,12-16H2,1-2H3,(H,28,32);3-4,7-8,11,16-17,29,32H,5-6,9-10,12-13H2,1-2H3,(H,30,34);3-4,7-8,11,16-17,23,28,30H,5-6,9-10,12-13H2,1-2H3,(H,29,33);4-5,8-9,12,18-19,26,29H,6-7,10-11,13-14H2,1-3H3,(H,27,31);4-6,9-11,18-19,26,29H,3,7-8,12-15H2,1-2H3,(H,27,31);2-3,6-9,16-17,25,27,30H,4-5,10-14H2,1H3,(H,26,31)/t20-,21+;19-,20+;2*16-,17+;2*18-,19+;16-,17+.
What are the key properties of N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide?
N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 3296.39 g/mol, XLogP of 27.47, 50 rotatable bonds, 22 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(difluoromethyl)-4-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-[2-(dimethylamino)ethylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-(ethylamino)-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-(hydroxymethyl)-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(methylamino)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-6-methyl-3-(propylamino)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 165008624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).