N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6S,7aS)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide

C104H119F2N17O8S4 — CID 167658052

About N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6S,7aS)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide

N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6S,7aS)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167658052) has the molecular formula C104H119F2N17O8S4 and a molecular weight of 1901.47 g/mol. Its IUPAC name is N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6S,7aS)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6S,7aS)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167658052
• Molecular Formula: C104H119F2N17O8S4
• Molecular Weight: 1901.47 g/mol
• Exact Mass: 1899.83
• IUPAC Name: N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6S,7aS)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC[C@@H]6CCCC[C@@H]65)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC[C@@H]6CC[C@H](N)C[C@@H]65)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC[C@H]6CCCC[C@H]65)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H]6CCCC(F)(F)[C@@H]6C5)ccc4C3)sc2n1
• InChI: InChI=1S/C26H28F2N4O2S.C26H31N5O2S.2C26H30N4O2S/c1-14-4-7-19-22(29)23(35-25(19)30-14)24(33)31-17-9-15-5-6-18(10-21(15)34-13-17)32-11-16-3-2-8-26(27,28)20(16)12-32;1-14-2-7-20-23(28)24(34-26(20)29-14)25(32)30-18-10-16-4-6-19(12-22(16)33-13-18)31-9-8-15-3-5-17(27)11-21(15)31;2*1-15-6-9-20-23(27)24(33-26(20)28-15)25(31)29-18-12-17-7-8-19(13-22(17)32-14-18)30-11-10-16-4-2-3-5-21(16)30/h4-7,10,16-17,20H,2-3,8-9,11-13,29H2,1H3,(H,31,33);2,4,6-7,12,15,17-18,21H,3,5,8-11,13,27-28H2,1H3,(H,30,32);2*6-9,13,16,18,21H,2-5,10-12,14,27H2,1H3,(H,29,31)/t16-,17+,20+;15-,17-,18+,21-;16-,18+,21-;16-,18-,21-/m0001/s1
• InChIKey: ROAJUTDODUGGQE-POXBHINMSA-N
• XLogP: 17.80
• TPSA: 347.94 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.47
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6S,7aS)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6S,7aS)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167658052) is N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6S,7aS)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6S,7aS)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6S,7aS)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC[C@@H]6CCCC[C@@H]65)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC[C@@H]6CC[C@H](N)C[C@@H]65)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC[C@H]6CCCC[C@H]65)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H]6CCCC(F)(F)[C@@H]6C5)ccc4C3)sc2n1.

What is the InChIKey of N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6S,7aS)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is ROAJUTDODUGGQE-POXBHINMSA-N. The full InChI is InChI=1S/C26H28F2N4O2S.C26H31N5O2S.2C26H30N4O2S/c1-14-4-7-19-22(29)23(35-25(19)30-14)24(33)31-17-9-15-5-6-18(10-21(15)34-13-17)32-11-16-3-2-8-26(27,28)20(16)12-32;1-14-2-7-20-23(28)24(34-26(20)29-14)25(32)30-18-10-16-4-6-19(12-22(16)33-13-18)31-9-8-15-3-5-17(27)11-21(15)31;2*1-15-6-9-20-23(27)24(33-26(20)28-15)25(31)29-18-12-17-7-8-19(13-22(17)32-14-18)30-11-10-16-4-2-3-5-21(16)30/h4-7,10,16-17,20H,2-3,8-9,11-13,29H2,1H3,(H,31,33);2,4,6-7,12,15,17-18,21H,3,5,8-11,13,27-28H2,1H3,(H,30,32);2*6-9,13,16,18,21H,2-5,10-12,14,27H2,1H3,(H,29,31)/t16-,17+,20+;15-,17-,18+,21-;16-,18+,21-;16-,18-,21-/m0001/s1.

What are the key properties of N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6S,7aS)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?

N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6S,7aS)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1901.47 g/mol, XLogP of 17.80, 12 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6S,7aS)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167658052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).