6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C38H34N4O5S2 — CID 161251454

IUPAC6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESO=C(O)c1ccc(=O)[nH]c1.O=C(c1ccc(=O)[nH]c1)N1CCc2sccc2[C@@H]1c1ccccc1.c1ccc([C@@H]2NCCc3sccc32)cc1
InChIInChI=1S/C19H16N2O2S.C13H13NS.C6H5NO3/c22-17-7-6-14(12-20-17)19(23)21-10-8-16-15(9-11-24-16)18(21)13-4-2-1-3-5-13;1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13;8-5-2-1-4(3-7-5)6(9)10/h1-7,9,11-12,18H,8,10H2,(H,20,22);1-5,7,9,13-14H,6,8H2;1-3H,(H,7,8)(H,9,10)/t18-;13-;/m00./s1
InChIKeyVBIDMOPOEHGNKR-VGWWKTEFSA-N
MW690.85 g/mol
LogP6.28
Rot. Bonds4

About 6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 161251454) has the molecular formula C38H34N4O5S2 and a molecular weight of 690.85 g/mol. Its IUPAC name is 6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID161251454
Molecular FormulaC38H34N4O5S2
Molecular Weight690.85 g/mol
Exact Mass690.20
IUPAC Name6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESO=C(O)c1ccc(=O)[nH]c1.O=C(c1ccc(=O)[nH]c1)N1CCc2sccc2[C@@H]1c1ccccc1.c1ccc([C@@H]2NCCc3sccc32)cc1
InChIInChI=1S/C19H16N2O2S.C13H13NS.C6H5NO3/c22-17-7-6-14(12-20-17)19(23)21-10-8-16-15(9-11-24-16)18(21)13-4-2-1-3-5-13;1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13;8-5-2-1-4(3-7-5)6(9)10/h1-7,9,11-12,18H,8,10H2,(H,20,22);1-5,7,9,13-14H,6,8H2;1-3H,(H,7,8)(H,9,10)/t18-;13-;/m00./s1
InChIKeyVBIDMOPOEHGNKR-VGWWKTEFSA-N
XLogP6.28
TPSA135.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 56.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

(4-bromophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 21264434
4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one
CID 55986211
1-methyl-5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridin-2-one
CID 138556110
methyl 5-(6-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565186
[4-(methylsulfanylmethyl)phenyl]-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429502
furan-2-yl-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 26004409
(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9451372
[4-(trifluoromethyl)phenyl]-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 2739402
(2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 46546069
(5,6-dichloro-3-pyridinyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9245818
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579
(4-chloro-3-nitrophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9245771

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 161251454) is 6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is O=C(O)c1ccc(=O)[nH]c1.O=C(c1ccc(=O)[nH]c1)N1CCc2sccc2[C@@H]1c1ccccc1.c1ccc([C@@H]2NCCc3sccc32)cc1.
What is the InChIKey of 6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is VBIDMOPOEHGNKR-VGWWKTEFSA-N. The full InChI is InChI=1S/C19H16N2O2S.C13H13NS.C6H5NO3/c22-17-7-6-14(12-20-17)19(23)21-10-8-16-15(9-11-24-16)18(21)13-4-2-1-3-5-13;1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13;8-5-2-1-4(3-7-5)6(9)10/h1-7,9,11-12,18H,8,10H2,(H,20,22);1-5,7,9,13-14H,6,8H2;1-3H,(H,7,8)(H,9,10)/t18-;13-;/m00./s1.
What are the key properties of 6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 690.85 g/mol, XLogP of 6.28, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1H-pyridine-3-carboxylic acid;5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyridin-2-one;(4S)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 161251454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).