(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

C22H17FN2O4S — CID 26433613

IUPAC(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2
InChIInChI=1S/C22H17FN2O4S/c1-11-19-15(12-2-7-16-17(8-12)29-10-28-16)9-18(26)25-22(19)30-20(11)21(27)24-14-5-3-13(23)4-6-14/h2-8,15H,9-10H2,1H3,(H,24,27)(H,25,26)/t15-/m1/s1
InChIKeyHFZQJEUZZRYAJL-OAHLLOKOSA-N
MW424.45 g/mol
LogP4.65
Rot. Bonds3

About (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 26433613) has the molecular formula C22H17FN2O4S and a molecular weight of 424.45 g/mol. Its IUPAC name is (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID26433613
Molecular FormulaC22H17FN2O4S
Molecular Weight424.45 g/mol
Exact Mass424.09
IUPAC Name(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2
InChIInChI=1S/C22H17FN2O4S/c1-11-19-15(12-2-7-16-17(8-12)29-10-28-16)9-18(26)25-22(19)30-20(11)21(27)24-14-5-3-13(23)4-6-14/h2-8,15H,9-10H2,1H3,(H,24,27)(H,25,26)/t15-/m1/s1
InChIKeyHFZQJEUZZRYAJL-OAHLLOKOSA-N
XLogP4.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433591
(4S)-N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26434101
(4R)-4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39313384
(4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433719
(4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433594
(4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39044796
(4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433725
(4S)-N-(2-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39343000
(4S,7S)-4-(1,3-benzodioxol-5-yl)-7-methyl-3,4,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-b]pyridin-2-one
CID 26416213
(4R,7S)-4-(1,3-benzodioxol-5-yl)-7-methyl-3,4,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-b]pyridin-2-one
CID 26416215
(4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433568
(4S)-4-(2,6-difluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39342665

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 26433613) is (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2.
What is the InChIKey of (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HFZQJEUZZRYAJL-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H17FN2O4S/c1-11-19-15(12-2-7-16-17(8-12)29-10-28-16)9-18(26)25-22(19)30-20(11)21(27)24-14-5-3-13(23)4-6-14/h2-8,15H,9-10H2,1H3,(H,24,27)(H,25,26)/t15-/m1/s1.
What are the key properties of (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 26433613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).