7-(3,5-difluorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide

C26H19F3N2O2S — CID 155135262

IUPAC7-(3,5-difluorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide
SMILESC=C(C)c1c(C(=O)N[C@H]2CCOc3ccc(F)cc32)sc2c(-c3cc(F)cc(F)c3)ccnc12
InChIInChI=1S/C26H19F3N2O2S/c1-13(2)22-23-24(18(5-7-30-23)14-9-16(28)11-17(29)10-14)34-25(22)26(32)31-20-6-8-33-21-4-3-15(27)12-19(20)21/h3-5,7,9-12,20H,1,6,8H2,2H3,(H,31,32)/t20-/m0/s1
InChIKeyBJQLNDHXPWZACK-FQEVSTJZSA-N
MW480.51 g/mol
LogP6.67
Rot. Bonds4

About 7-(3,5-difluorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide

7-(3,5-difluorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide (PubChem CID 155135262) has the molecular formula C26H19F3N2O2S and a molecular weight of 480.51 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide
PubChem CID155135262
Molecular FormulaC26H19F3N2O2S
Molecular Weight480.51 g/mol
Exact Mass480.11
IUPAC Name7-(3,5-difluorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide
SMILESC=C(C)c1c(C(=O)N[C@H]2CCOc3ccc(F)cc32)sc2c(-c3cc(F)cc(F)c3)ccnc12
InChIInChI=1S/C26H19F3N2O2S/c1-13(2)22-23-24(18(5-7-30-23)14-9-16(28)11-17(29)10-14)34-25(22)26(32)31-20-6-8-33-21-4-3-15(27)12-19(20)21/h3-5,7,9-12,20H,1,6,8H2,2H3,(H,31,32)/t20-/m0/s1
InChIKeyBJQLNDHXPWZACK-FQEVSTJZSA-N
XLogP6.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.51
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3,5-difluorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-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)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 7-(3,5-difluorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide (CID 155135262) is 7-(3,5-difluorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-(3,5-difluorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 7-(3,5-difluorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide is C=C(C)c1c(C(=O)N[C@H]2CCOc3ccc(F)cc32)sc2c(-c3cc(F)cc(F)c3)ccnc12.
What is the InChIKey of 7-(3,5-difluorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is BJQLNDHXPWZACK-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H19F3N2O2S/c1-13(2)22-23-24(18(5-7-30-23)14-9-16(28)11-17(29)10-14)34-25(22)26(32)31-20-6-8-33-21-4-3-15(27)12-19(20)21/h3-5,7,9-12,20H,1,6,8H2,2H3,(H,31,32)/t20-/m0/s1.
What are the key properties of 7-(3,5-difluorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide?
7-(3,5-difluorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 480.51 g/mol, XLogP of 6.67, 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)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155135262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).