3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C98H122N22O10S4 — CID 167537291

About 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167537291) has the molecular formula C98H122N22O10S4 and a molecular weight of 1896.47 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167537291
• Molecular Formula: C98H122N22O10S4
• Molecular Weight: 1896.47 g/mol
• Exact Mass: 1894.86
• IUPAC Name: 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CO[C@@H]1CCN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@H]1N.CO[C@@H]1CCN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.CO[C@H]1CCN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@@H]1N.CO[C@H]1CCN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N
• InChI: InChI=1S/2C25H31N5O3S.2C24H30N6O2S/c2*1-13-8-14(2)28-25-21(13)22(27)23(34-25)24(31)29-16-9-15-4-5-17(10-20(15)33-12-16)30-7-6-19(32-3)18(26)11-30;2*1-13-3-6-16-21(26)22(33-24(16)27-13)23(31)28-15-5-7-18-14(11-15)4-8-20(29-18)30-10-9-19(32-2)17(25)12-30/h2*4-5,8,10,16,18-19H,6-7,9,11-12,26-27H2,1-3H3,(H,29,31);2*3-4,6,8,15,17,19H,5,7,9-12,25-26H2,1-2H3,(H,28,31)/t16-,18+,19+;16-,18-,19-;15-,17+,19+;15-,17-,19-/m1100/s1
• InChIKey: ASHAYIXJUQROSK-YDMHUBNSSA-N
• XLogP: 10.41
• TPSA: 470.24 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1896.47
LogP ≤ 5	10.41
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167537291) is 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is CO[C@@H]1CCN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@H]1N.CO[C@@H]1CCN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.CO[C@H]1CCN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@@H]1N.CO[C@H]1CCN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.

What is the InChIKey of 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is ASHAYIXJUQROSK-YDMHUBNSSA-N. The full InChI is InChI=1S/2C25H31N5O3S.2C24H30N6O2S/c2*1-13-8-14(2)28-25-21(13)22(27)23(34-25)24(31)29-16-9-15-4-5-17(10-20(15)33-12-16)30-7-6-19(32-3)18(26)11-30;2*1-13-3-6-16-21(26)22(33-24(16)27-13)23(31)28-15-5-7-18-14(11-15)4-8-20(29-18)30-10-9-19(32-2)17(25)12-30/h2*4-5,8,10,16,18-19H,6-7,9,11-12,26-27H2,1-3H3,(H,29,31);2*3-4,6,8,15,17,19H,5,7,9-12,25-26H2,1-2H3,(H,28,31)/t16-,18+,19+;16-,18-,19-;15-,17+,19+;15-,17-,19-/m1100/s1.

What are the key properties of 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1896.47 g/mol, XLogP of 10.41, 16 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167537291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).