3-amino-N-(7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-amine;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-7-yl]piperazine-1-carboxylate

C120H128Br2F6N24O13S5 — CID 158963344

About 3-amino-N-(7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-amine;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-7-yl]piperazine-1-carboxylate

3-amino-N-(7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-amine;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-7-yl]piperazine-1-carboxylate (PubChem CID 158963344) has the molecular formula C120H128Br2F6N24O13S5 and a molecular weight of 2560.70 g/mol. Its IUPAC name is 3-amino-N-(7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-amine;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-7-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 3-amino-N-(7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-amine;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-7-yl]piperazine-1-carboxylate
• PubChem CID: 158963344
• Molecular Formula: C120H128Br2F6N24O13S5
• Molecular Weight: 2560.70 g/mol
• Exact Mass: 2556.77
• IUPAC Name: 3-amino-N-(7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-amine;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-7-yl]piperazine-1-carboxylate
• SMILES: [2H]C1([2H])c2c(F)cc(Br)cc2OCC1N.[2H]C1([2H])c2c(F)cc(Br)cc2OCC1NC(=O)c1sc2nc(C)ccc2c1N.[2H]C1([2H])c2c(F)cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2OCC1NC(=O)c1sc2nc(C)ccc2c1N.[2H]C1([2H])c2c(F)cc(N3CCNCC3)cc2OCC1NC(=O)c1sc2nc(C)ccc2c1N.[2H]C1([2H])c2c(F)cc(N3CCNCC3)cc2OC[C@@H]1NC(=O)c1sc2nc(C)ccc2c1N.[2H]C1([2H])c2c(F)cc(N3CCNCC3)cc2OC[C@H]1NC(=O)c1sc2nc(C)ccc2c1N
• InChI: InChI=1S/C27H32FN5O4S.3C22H24FN5O2S.C18H15BrFN3O2S.C9H9BrFNO/c1-15-5-6-18-22(29)23(38-25(18)30-15)24(34)31-16-11-19-20(28)12-17(13-21(19)36-14-16)32-7-9-33(10-8-32)26(35)37-27(2,3)4;3*1-12-2-3-15-19(24)20(31-22(15)26-12)21(29)27-13-8-16-17(23)9-14(10-18(16)30-11-13)28-6-4-25-5-7-28;1-8-2-3-11-15(21)16(26-18(11)22-8)17(24)23-10-6-12-13(20)4-9(19)5-14(12)25-7-10;10-5-1-8(11)7-3-6(12)4-13-9(7)2-5/h5-6,12-13,16H,7-11,14,29H2,1-4H3,(H,31,34);3*2-3,9-10,13,25H,4-8,11,24H2,1H3,(H,27,29);2-5,10H,6-7,21H2,1H3,(H,23,24);1-2,6H,3-4,12H2/t;2*13-;;;/m.10.../s1/i11D2;3*8D2;6D2;3D2
• InChIKey: JMWWPYYXLODHMI-NZZSZUBPSA-N
• XLogP: 17.20
• TPSA: 500.04 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 36
• Rotatable Bonds: 14
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2560.70
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-amine;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-7-yl]piperazine-1-carboxylate?

The IUPAC name of 3-amino-N-(7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-amine;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-7-yl]piperazine-1-carboxylate (CID 158963344) is 3-amino-N-(7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-amine;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-7-yl]piperazine-1-carboxylate.

What is the SMILES notation for 3-amino-N-(7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-amine;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-7-yl]piperazine-1-carboxylate?

The canonical SMILES for 3-amino-N-(7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-amine;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-7-yl]piperazine-1-carboxylate is [2H]C1([2H])c2c(F)cc(Br)cc2OCC1N.[2H]C1([2H])c2c(F)cc(Br)cc2OCC1NC(=O)c1sc2nc(C)ccc2c1N.[2H]C1([2H])c2c(F)cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2OCC1NC(=O)c1sc2nc(C)ccc2c1N.[2H]C1([2H])c2c(F)cc(N3CCNCC3)cc2OCC1NC(=O)c1sc2nc(C)ccc2c1N.[2H]C1([2H])c2c(F)cc(N3CCNCC3)cc2OC[C@@H]1NC(=O)c1sc2nc(C)ccc2c1N.[2H]C1([2H])c2c(F)cc(N3CCNCC3)cc2OC[C@H]1NC(=O)c1sc2nc(C)ccc2c1N.

What is the InChIKey of 3-amino-N-(7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-amine;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-7-yl]piperazine-1-carboxylate?

The InChIKey is JMWWPYYXLODHMI-NZZSZUBPSA-N. The full InChI is InChI=1S/C27H32FN5O4S.3C22H24FN5O2S.C18H15BrFN3O2S.C9H9BrFNO/c1-15-5-6-18-22(29)23(38-25(18)30-15)24(34)31-16-11-19-20(28)12-17(13-21(19)36-14-16)32-7-9-33(10-8-32)26(35)37-27(2,3)4;3*1-12-2-3-15-19(24)20(31-22(15)26-12)21(29)27-13-8-16-17(23)9-14(10-18(16)30-11-13)28-6-4-25-5-7-28;1-8-2-3-11-15(21)16(26-18(11)22-8)17(24)23-10-6-12-13(20)4-9(19)5-14(12)25-7-10;10-5-1-8(11)7-3-6(12)4-13-9(7)2-5/h5-6,12-13,16H,7-11,14,29H2,1-4H3,(H,31,34);3*2-3,9-10,13,25H,4-8,11,24H2,1H3,(H,27,29);2-5,10H,6-7,21H2,1H3,(H,23,24);1-2,6H,3-4,12H2/t;2*13-;;;/m.10.../s1/i11D2;3*8D2;6D2;3D2.

What are the key properties of 3-amino-N-(7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-amine;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-7-yl]piperazine-1-carboxylate?

3-amino-N-(7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-amine;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-7-yl]piperazine-1-carboxylate has a molecular weight of 2560.70 g/mol, XLogP of 17.20, 14 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4,4-dideuterio-5-fluoro-7-piperazin-1-yl-2,3-dihydrochromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-bromo-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-3-amine;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,4-dideuterio-5-fluoro-2,3-dihydrochromen-7-yl]piperazine-1-carboxylate is sourced from PubChem (CID 158963344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).