N-[(3R)-7-[(3aR,6R,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6R,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,6S,7aR)-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;3-amino-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C105H122FN21O8S4 — CID 167579251

About N-[(3R)-7-[(3aR,6R,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6R,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,6S,7aR)-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;3-amino-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

N-[(3R)-7-[(3aR,6R,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6R,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,6S,7aR)-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;3-amino-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167579251) has the molecular formula C105H122FN21O8S4 and a molecular weight of 1953.54 g/mol. Its IUPAC name is N-[(3R)-7-[(3aR,6R,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6R,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,6S,7aR)-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;3-amino-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-7-[(3aR,6R,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6R,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,6S,7aR)-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;3-amino-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167579251
• Molecular Formula: C105H122FN21O8S4
• Molecular Weight: 1953.54 g/mol
• Exact Mass: 1951.87
• IUPAC Name: N-[(3R)-7-[(3aR,6R,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6R,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,6S,7aR)-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;3-amino-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4c(C#N)c(N5CC6CCC(C5)N6)cc(F)c4C3)sc2n1.Cc1cc(C)c2c(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]6CC[C@@H](N)C[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
• InChI: InChI=1S/C27H33N5O2S.C26H27FN6O2S.2C26H31N5O2S/c1-14-9-15(2)30-27-23(14)24(29)25(35-27)26(33)31-19-10-17-4-6-20(12-22(17)34-13-19)32-8-7-16-3-5-18(28)11-21(16)32;1-12-5-13(2)30-26-21(12)22(29)24(36-26)25(34)32-16-6-17-19(27)7-20(18(8-28)23(17)35-11-16)33-9-14-3-4-15(10-33)31-14;2*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/h4,6,9,12,16,18-19,21H,3,5,7-8,10-11,13,28-29H2,1-2H3,(H,31,33);5,7,14-16,31H,3-4,6,9-11,29H2,1-2H3,(H,32,34);2*2,4,6-7,12,15,17-18,21H,3,5,8-11,13,27-28H2,1H3,(H,30,32)/t16-,18-,19-,21-;14?,15?,16-;15-,17+,18+,21-;15-,17+,18-,21-/m1101/s1
• InChIKey: GYKQVQHCMMFBKW-LKFCXMENSA-N
• XLogP: 14.37
• TPSA: 435.80 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 12
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1953.54
LogP ≤ 5	14.37
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-7-[(3aR,6R,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6R,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,6S,7aR)-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;3-amino-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[(3R)-7-[(3aR,6R,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6R,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,6S,7aR)-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;3-amino-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 167579251) is N-[(3R)-7-[(3aR,6R,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6R,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,6S,7aR)-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;3-amino-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[(3R)-7-[(3aR,6R,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6R,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,6S,7aR)-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;3-amino-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[(3R)-7-[(3aR,6R,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6R,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,6S,7aR)-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;3-amino-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4c(C#N)c(N5CC6CCC(C5)N6)cc(F)c4C3)sc2n1.Cc1cc(C)c2c(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]6CC[C@@H](N)C[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.

What is the InChIKey of N-[(3R)-7-[(3aR,6R,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6R,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,6S,7aR)-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;3-amino-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is GYKQVQHCMMFBKW-LKFCXMENSA-N. The full InChI is InChI=1S/C27H33N5O2S.C26H27FN6O2S.2C26H31N5O2S/c1-14-9-15(2)30-27-23(14)24(29)25(35-27)26(33)31-19-10-17-4-6-20(12-22(17)34-13-19)32-8-7-16-3-5-18(28)11-21(16)32;1-12-5-13(2)30-26-21(12)22(29)24(36-26)25(34)32-16-6-17-19(27)7-20(18(8-28)23(17)35-11-16)33-9-14-3-4-15(10-33)31-14;2*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/h4,6,9,12,16,18-19,21H,3,5,7-8,10-11,13,28-29H2,1-2H3,(H,31,33);5,7,14-16,31H,3-4,6,9-11,29H2,1-2H3,(H,32,34);2*2,4,6-7,12,15,17-18,21H,3,5,8-11,13,27-28H2,1H3,(H,30,32)/t16-,18-,19-,21-;14?,15?,16-;15-,17+,18+,21-;15-,17+,18-,21-/m1101/s1.

What are the key properties of N-[(3R)-7-[(3aR,6R,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6R,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,6S,7aR)-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;3-amino-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

N-[(3R)-7-[(3aR,6R,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6R,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,6S,7aR)-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;3-amino-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1953.54 g/mol, XLogP of 14.37, 12 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-7-[(3aR,6R,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,6R,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,6S,7aR)-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;3-amino-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167579251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).