N-[2-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

C120H145N21O6S5 — CID 157264577

About N-[2-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

N-[2-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 157264577) has the molecular formula C120H145N21O6S5 and a molecular weight of 2137.96 g/mol. Its IUPAC name is N-[2-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 157264577
• Molecular Formula: C120H145N21O6S5
• Molecular Weight: 2137.96 g/mol
• Exact Mass: 2136.03
• IUPAC Name: N-[2-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CC[C@@H]1CCN(c2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2)C1.CC[C@H]1CCN(c2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2)C1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC5(CCC5)CC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCOC5(CCNCC5)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4C[C@H]5CCC[C@H]5C4)cc3)sc2n1
• InChI: InChI=1S/C25H31N5O2S.C25H30N4OS.C24H28N4OS.2C23H28N4OS/c1-17-2-7-20-21(26)22(33-24(20)29-17)23(31)28-11-8-18-3-5-19(6-4-18)30-14-15-32-25(16-30)9-12-27-13-10-25;1-17-3-8-20-21(26)22(31-24(20)28-17)23(30)27-14-9-18-4-6-19(7-5-18)29-15-12-25(13-16-29)10-2-11-25;1-15-5-10-20-21(25)22(30-24(20)27-15)23(29)26-12-11-16-6-8-19(9-7-16)28-13-17-3-2-4-18(17)14-28;2*1-3-16-11-13-27(14-16)18-7-5-17(6-8-18)10-12-25-22(28)21-20(24)19-9-4-15(2)26-23(19)29-21/h2-7,27H,8-16,26H2,1H3,(H,28,31);3-8H,2,9-16,26H2,1H3,(H,27,30);5-10,17-18H,2-4,11-14,25H2,1H3,(H,26,29);2*4-9,16H,3,10-14,24H2,1-2H3,(H,25,28)/t;;17-,18+;2*16-/m...10/s1
• InChIKey: AXVSNEZMFYRXFJ-ZPLHIXICSA-N
• XLogP: 21.24
• TPSA: 377.51 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2137.96
LogP ≤ 5	21.24
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 157264577) is N-[2-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is CC[C@@H]1CCN(c2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2)C1.CC[C@H]1CCN(c2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2)C1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC5(CCC5)CC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCOC5(CCNCC5)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4C[C@H]5CCC[C@H]5C4)cc3)sc2n1.

What is the InChIKey of N-[2-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is AXVSNEZMFYRXFJ-ZPLHIXICSA-N. The full InChI is InChI=1S/C25H31N5O2S.C25H30N4OS.C24H28N4OS.2C23H28N4OS/c1-17-2-7-20-21(26)22(33-24(20)29-17)23(31)28-11-8-18-3-5-19(6-4-18)30-14-15-32-25(16-30)9-12-27-13-10-25;1-17-3-8-20-21(26)22(31-24(20)28-17)23(30)27-14-9-18-4-6-19(7-5-18)29-15-12-25(13-16-29)10-2-11-25;1-15-5-10-20-21(25)22(30-24(20)27-15)23(29)26-12-11-16-6-8-19(9-7-16)28-13-17-3-2-4-18(17)14-28;2*1-3-16-11-13-27(14-16)18-7-5-17(6-8-18)10-12-25-22(28)21-20(24)19-9-4-15(2)26-23(19)29-21/h2-7,27H,8-16,26H2,1H3,(H,28,31);3-8H,2,9-16,26H2,1H3,(H,27,30);5-10,17-18H,2-4,11-14,25H2,1H3,(H,26,29);2*4-9,16H,3,10-14,24H2,1-2H3,(H,25,28)/t;;17-,18+;2*16-/m...10/s1.

What are the key properties of N-[2-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

N-[2-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2137.96 g/mol, XLogP of 21.24, 27 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 157264577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).