N-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide

C168H186F14N28O7S7 — CID 159083784

IUPACN-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4C[C@H]5CCC[C@H]5C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4C[C@H]5CCC[C@H]5C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@H]5CCC[C@H]54)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1nc2sc(C(=O)NC[C@@H](C)c3cc(F)c(N4CCCCC4)cc3F)c(N)c2cc1F.Cc1nc2sc(C(=O)NC[C@H](C)c3cc(F)c(N4CCCCC4)cc3F)c(N)c2cc1F
InChIInChI=1S/2C25H28F2N4OS.2C24H26F2N4OS.C24H28N4OS.2C23H25F3N4OS/c2*1-13(10-29-24(32)23-22(28)17-6-3-14(2)30-25(17)33-23)18-8-20(27)21(9-19(18)26)31-11-15-4-5-16(7-15)12-31;2*1-13-5-6-17-21(27)22(32-24(17)29-13)23(31)28-8-7-14-9-19(26)20(10-18(14)25)30-11-15-3-2-4-16(15)12-30;1-15-5-10-19-21(25)22(30-24(19)27-15)23(29)26-13-11-16-6-8-18(9-7-16)28-14-12-17-3-2-4-20(17)28;2*1-12(14-8-18(26)19(10-17(14)25)30-6-4-3-5-7-30)11-28-22(31)21-20(27)15-9-16(24)13(2)29-23(15)32-21/h2*3,6,8-9,13,15-16H,4-5,7,10-12,28H2,1-2H3,(H,29,32);2*5-6,9-10,15-16H,2-4,7-8,11-12,27H2,1H3,(H,28,31);5-10,17,20H,2-4,11-14,25H2,1H3,(H,26,29);2*8-10,12H,3-7,11,27H2,1-2H3,(H,28,31)/t2*13-,15?,16?;2*15-,16+;17-,20-;2*12-/m10..110/s1
InChIKeyKBEMMKLHPKQDLG-GATFWRGLSA-N
MW3199.97 g/mol
LogP34.61
Rot. Bonds35

About N-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide

N-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 159083784) has the molecular formula C168H186F14N28O7S7 and a molecular weight of 3199.97 g/mol. Its IUPAC name is N-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID159083784
Molecular FormulaC168H186F14N28O7S7
Molecular Weight3199.97 g/mol
Exact Mass3197.29
IUPAC NameN-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4C[C@H]5CCC[C@H]5C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4C[C@H]5CCC[C@H]5C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@H]5CCC[C@H]54)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1nc2sc(C(=O)NC[C@@H](C)c3cc(F)c(N4CCCCC4)cc3F)c(N)c2cc1F.Cc1nc2sc(C(=O)NC[C@H](C)c3cc(F)c(N4CCCCC4)cc3F)c(N)c2cc1F
InChIInChI=1S/2C25H28F2N4OS.2C24H26F2N4OS.C24H28N4OS.2C23H25F3N4OS/c2*1-13(10-29-24(32)23-22(28)17-6-3-14(2)30-25(17)33-23)18-8-20(27)21(9-19(18)26)31-11-15-4-5-16(7-15)12-31;2*1-13-5-6-17-21(27)22(32-24(17)29-13)23(31)28-8-7-14-9-19(26)20(10-18(14)25)30-11-15-3-2-4-16(15)12-30;1-15-5-10-19-21(25)22(30-24(19)27-15)23(29)26-13-11-16-6-8-18(9-7-16)28-14-12-17-3-2-4-20(17)28;2*1-12(14-8-18(26)19(10-17(14)25)30-6-4-3-5-7-30)11-28-22(31)21-20(27)15-9-16(24)13(2)29-23(15)32-21/h2*3,6,8-9,13,15-16H,4-5,7,10-12,28H2,1-2H3,(H,29,32);2*5-6,9-10,15-16H,2-4,7-8,11-12,27H2,1H3,(H,28,31);5-10,17,20H,2-4,11-14,25H2,1H3,(H,26,29);2*8-10,12H,3-7,11,27H2,1-2H3,(H,28,31)/t2*13-,15?,16?;2*15-,16+;17-,20-;2*12-/m10..110/s1
InChIKeyKBEMMKLHPKQDLG-GATFWRGLSA-N
XLogP34.61
TPSA498.75 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds35
Heavy Atoms224
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003199.97
LogP ≤ 534.61
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze N-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 159083784) is N-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4C[C@H]5CCC[C@H]5C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4C[C@H]5CCC[C@H]5C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@H]5CCC[C@H]54)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1nc2sc(C(=O)NC[C@@H](C)c3cc(F)c(N4CCCCC4)cc3F)c(N)c2cc1F.Cc1nc2sc(C(=O)NC[C@H](C)c3cc(F)c(N4CCCCC4)cc3F)c(N)c2cc1F.
What is the InChIKey of N-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KBEMMKLHPKQDLG-GATFWRGLSA-N. The full InChI is InChI=1S/2C25H28F2N4OS.2C24H26F2N4OS.C24H28N4OS.2C23H25F3N4OS/c2*1-13(10-29-24(32)23-22(28)17-6-3-14(2)30-25(17)33-23)18-8-20(27)21(9-19(18)26)31-11-15-4-5-16(7-15)12-31;2*1-13-5-6-17-21(27)22(32-24(17)29-13)23(31)28-8-7-14-9-19(26)20(10-18(14)25)30-11-15-3-2-4-16(15)12-30;1-15-5-10-19-21(25)22(30-24(19)27-15)23(29)26-13-11-16-6-8-18(9-7-16)28-14-12-17-3-2-4-20(17)28;2*1-12(14-8-18(26)19(10-17(14)25)30-6-4-3-5-7-30)11-28-22(31)21-20(27)15-9-16(24)13(2)29-23(15)32-21/h2*3,6,8-9,13,15-16H,4-5,7,10-12,28H2,1-2H3,(H,29,32);2*5-6,9-10,15-16H,2-4,7-8,11-12,27H2,1H3,(H,28,31);5-10,17,20H,2-4,11-14,25H2,1H3,(H,26,29);2*8-10,12H,3-7,11,27H2,1-2H3,(H,28,31)/t2*13-,15?,16?;2*15-,16+;17-,20-;2*12-/m10..110/s1.
What are the key properties of N-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?
N-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 3199.97 g/mol, XLogP of 34.61, 35 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(N-[2-[4-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 159083784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).