7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide

C26H21F3N2O2S — CID 155135261

IUPAC7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
SMILESCC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(F)cc(F)c3)c(F)cnc12
InChIInChI=1S/C26H21F3N2O2S/c1-13(2)21-23-24(22(18(29)12-30-23)14-9-15(27)11-16(28)10-14)34-25(21)26(32)31-19-7-8-33-20-6-4-3-5-17(19)20/h3-6,9-13,19H,7-8H2,1-2H3,(H,31,32)/t19-/m0/s1
InChIKeyYLTSJEMGDNQNES-IBGZPJMESA-N
MW482.53 g/mol
LogP6.76
Rot. Bonds4

About 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide

7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide (PubChem CID 155135261) has the molecular formula C26H21F3N2O2S and a molecular weight of 482.53 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
PubChem CID155135261
Molecular FormulaC26H21F3N2O2S
Molecular Weight482.53 g/mol
Exact Mass482.13
IUPAC Name7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
SMILESCC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(F)cc(F)c3)c(F)cnc12
InChIInChI=1S/C26H21F3N2O2S/c1-13(2)21-23-24(22(18(29)12-30-23)14-9-15(27)11-16(28)10-14)34-25(21)26(32)31-19-7-8-33-20-6-4-3-5-17(19)20/h3-6,9-13,19H,7-8H2,1-2H3,(H,31,32)/t19-/m0/s1
InChIKeyYLTSJEMGDNQNES-IBGZPJMESA-N
XLogP6.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide (CID 155135261) is 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-propan-2-ylthieno[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]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide is CC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(F)cc(F)c3)c(F)cnc12.
What is the InChIKey of 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is YLTSJEMGDNQNES-IBGZPJMESA-N. The full InChI is InChI=1S/C26H21F3N2O2S/c1-13(2)21-23-24(22(18(29)12-30-23)14-9-15(27)11-16(28)10-14)34-25(21)26(32)31-19-7-8-33-20-6-4-3-5-17(19)20/h3-6,9-13,19H,7-8H2,1-2H3,(H,31,32)/t19-/m0/s1.
What are the key properties of 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?
7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 482.53 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]-6-fluoro-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155135261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).