7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide

C25H21F2N3O2S — CID 155135421

About 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide

7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 155135421) has the molecular formula C25H21F2N3O2S and a molecular weight of 465.53 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide
• PubChem CID: 155135421
• Molecular Formula: C25H21F2N3O2S
• Molecular Weight: 465.53 g/mol
• Exact Mass: 465.13
• IUPAC Name: 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide
• SMILES: CN(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(F)cc(F)c3)ccnc12
• InChI: InChI=1S/C25H21F2N3O2S/c1-30(2)22-21-23(17(7-9-28-21)14-11-15(26)13-16(27)12-14)33-24(22)25(31)29-19-8-10-32-20-6-4-3-5-18(19)20/h3-7,9,11-13,19H,8,10H2,1-2H3,(H,29,31)/t19-/m0/s1
• InChIKey: JTAZOHYVYNSTLL-IBGZPJMESA-N
• XLogP: 5.56
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.53
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide?

The IUPAC name of 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide (CID 155135421) is 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide.

What is the SMILES notation for 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide?

The canonical SMILES for 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide is CN(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(F)cc(F)c3)ccnc12.

What is the InChIKey of 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide?

The InChIKey is JTAZOHYVYNSTLL-IBGZPJMESA-N. The full InChI is InChI=1S/C25H21F2N3O2S/c1-30(2)22-21-23(17(7-9-28-21)14-11-15(26)13-16(27)12-14)33-24(22)25(31)29-19-8-10-32-20-6-4-3-5-18(19)20/h3-7,9,11-13,19H,8,10H2,1-2H3,(H,29,31)/t19-/m0/s1.

What are the key properties of 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide?

7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155135421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).