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

C26H20F2N2O2S — CID 155135254

IUPAC7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[2,3-c]pyridine-2-carboxamide
SMILESC=C(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(F)cc(F)c3)nccc12
InChIInChI=1S/C26H20F2N2O2S/c1-14(2)22-19-7-9-29-23(15-11-16(27)13-17(28)12-15)24(19)33-25(22)26(31)30-20-8-10-32-21-6-4-3-5-18(20)21/h3-7,9,11-13,20H,1,8,10H2,2H3,(H,30,31)/t20-/m0/s1
InChIKeyQUMFRVFMDBBBBS-FQEVSTJZSA-N
MW462.52 g/mol
LogP6.53
Rot. Bonds4

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

7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 155135254) has the molecular formula C26H20F2N2O2S and a molecular weight of 462.52 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID155135254
Molecular FormulaC26H20F2N2O2S
Molecular Weight462.52 g/mol
Exact Mass462.12
IUPAC Name7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[2,3-c]pyridine-2-carboxamide
SMILESC=C(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(F)cc(F)c3)nccc12
InChIInChI=1S/C26H20F2N2O2S/c1-14(2)22-19-7-9-29-23(15-11-16(27)13-17(28)12-15)24(19)33-25(22)26(31)30-20-8-10-32-21-6-4-3-5-18(20)21/h3-7,9,11-13,20H,1,8,10H2,2H3,(H,30,31)/t20-/m0/s1
InChIKeyQUMFRVFMDBBBBS-FQEVSTJZSA-N
XLogP6.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[2,3-c]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]-3-prop-1-en-2-ylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[2,3-c]pyridine-2-carboxamide (CID 155135254) is 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[2,3-c]pyridine-2-carboxamide is C=C(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(F)cc(F)c3)nccc12.
What is the InChIKey of 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is QUMFRVFMDBBBBS-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H20F2N2O2S/c1-14(2)22-19-7-9-29-23(15-11-16(27)13-17(28)12-15)24(19)33-25(22)26(31)30-20-8-10-32-21-6-4-3-5-18(20)21/h3-7,9,11-13,20H,1,8,10H2,2H3,(H,30,31)/t20-/m0/s1.
What are the key properties of 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[2,3-c]pyridine-2-carboxamide?
7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 6.53, 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]-3-prop-1-en-2-ylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155135254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).