3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylate

C₆₄H₄₃F₁₂N₅O₇S₃ — CID 158077749

About 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylate

3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 158077749) has the molecular formula C₆₄H₄₃F₁₂N₅O₇S₃ and a molecular weight of 1318.25 g/mol. Its IUPAC name is 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylate
• PubChem CID: 158077749
• Molecular Formula: C₆₄H₄₃F₁₂N₅O₇S₃
• Molecular Weight: 1318.25 g/mol
• Exact Mass: 1317.21
• IUPAC Name: 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylate
• SMILES: COC(=O)c1sc2c(-c3cc(F)cc(F)c3)ccnc2c1C(F)F.N[C@H]1CCOc2ccccc21.O=C(N[C@H]1CCOc2ccccc21)c1sc2c(-c3cc(F)cc(F)c3)ccnc2c1C(F)F.O=C(O)c1sc2c(-c3cc(F)cc(F)c3)ccnc2c1C(F)F
• InChI: InChI=1S/C24H16F4N2O2S.C16H9F4NO2S.C15H7F4NO2S.C9H11NO/c25-13-9-12(10-14(26)11-13)15-5-7-29-20-19(23(27)28)22(33-21(15)20)24(31)30-17-6-8-32-18-4-2-1-3-16(17)18;1-23-16(22)14-11(15(19)20)12-13(24-14)10(2-3-21-12)7-4-8(17)6-9(18)5-7;16-7-3-6(4-8(17)5-7)9-1-2-20-11-10(14(18)19)13(15(21)22)23-12(9)11;10-8-5-6-11-9-4-2-1-3-7(8)9/h1-5,7,9-11,17,23H,6,8H2,(H,30,31);2-6,15H,1H3;1-5,14H,(H,21,22);1-4,8H,5-6,10H2/t17-;;;8-/m0..0/s1
• InChIKey: FMOQWLDEIOLJHM-CMGNPSNCSA-N
• XLogP: 17.74
• TPSA: 175.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1318.25
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylate?

The IUPAC name of 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylate (CID 158077749) is 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylate.

What is the SMILES notation for 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylate?

The canonical SMILES for 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2c(-c3cc(F)cc(F)c3)ccnc2c1C(F)F.N[C@H]1CCOc2ccccc21.O=C(N[C@H]1CCOc2ccccc21)c1sc2c(-c3cc(F)cc(F)c3)ccnc2c1C(F)F.O=C(O)c1sc2c(-c3cc(F)cc(F)c3)ccnc2c1C(F)F.

What is the InChIKey of 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylate?

The InChIKey is FMOQWLDEIOLJHM-CMGNPSNCSA-N. The full InChI is InChI=1S/C24H16F4N2O2S.C16H9F4NO2S.C15H7F4NO2S.C9H11NO/c25-13-9-12(10-14(26)11-13)15-5-7-29-20-19(23(27)28)22(33-21(15)20)24(31)30-17-6-8-32-18-4-2-1-3-16(17)18;1-23-16(22)14-11(15(19)20)12-13(24-14)10(2-3-21-12)7-4-8(17)6-9(18)5-7;16-7-3-6(4-8(17)5-7)9-1-2-20-11-10(14(18)19)13(15(21)22)23-12(9)11;10-8-5-6-11-9-4-2-1-3-7(8)9/h1-5,7,9-11,17,23H,6,8H2,(H,30,31);2-6,15H,1H3;1-5,14H,(H,21,22);1-4,8H,5-6,10H2/t17-;;;8-/m0..0/s1.

What are the key properties of 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylate?

3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 1318.25 g/mol, XLogP of 17.74, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 3-(difluoromethyl)-7-(3,5-difluorophenyl)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 158077749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158077749 — identifiers, structure, computed properties (public domain)

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