4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

C110H114N14O9S2 — CID 160662874

IUPAC4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCCCCCOc1ccc(-c2cc(-c3ccc(C4CC4)s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3cc4ccccc4s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C(=O)Nc3ccc(C)cc3)c(=O)[nH]2)cc1
InChIInChI=1S/C33H36N2O3.C27H30N4O2.C25H22N4O2S.C25H26N4O2S/c1-6-7-20-38-27-18-12-24(13-19-27)29-21-28(23-10-14-25(15-11-23)33(3,4)5)30(32(37)35-29)31(36)34-26-16-8-22(2)9-17-26;1-5-6-15-33-21-13-9-19(10-14-21)23-16-22(18-7-11-20(12-8-18)27(2,3)4)24(26(32)30-23)25-28-17-29-31-25;1-2-3-12-31-18-10-8-16(9-11-18)20-14-19(22-13-17-6-4-5-7-21(17)32-22)23(25(30)28-20)24-26-15-27-29-24;1-2-3-4-13-31-18-9-7-16(8-10-18)20-14-19(22-12-11-21(32-22)17-5-6-17)23(25(30)28-20)24-26-15-27-29-24/h8-19,21H,6-7,20H2,1-5H3,(H,34,36)(H,35,37);7-14,16-17H,5-6,15H2,1-4H3,(H,30,32)(H,28,29,31);4-11,13-15H,2-3,12H2,1H3,(H,28,30)(H,26,27,29);7-12,14-15,17H,2-6,13H2,1H3,(H,28,30)(H,26,27,29)
InChIKeyRLXGCRCCZPGFNF-UHFFFAOYSA-N
MW1840.34 g/mol
LogP25.61
Rot. Bonds31

About 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (PubChem CID 160662874) has the molecular formula C110H114N14O9S2 and a molecular weight of 1840.34 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
PubChem CID160662874
Molecular FormulaC110H114N14O9S2
Molecular Weight1840.34 g/mol
Exact Mass1838.83
IUPAC Name4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCCCCCOc1ccc(-c2cc(-c3ccc(C4CC4)s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3cc4ccccc4s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C(=O)Nc3ccc(C)cc3)c(=O)[nH]2)cc1
InChIInChI=1S/C33H36N2O3.C27H30N4O2.C25H22N4O2S.C25H26N4O2S/c1-6-7-20-38-27-18-12-24(13-19-27)29-21-28(23-10-14-25(15-11-23)33(3,4)5)30(32(37)35-29)31(36)34-26-16-8-22(2)9-17-26;1-5-6-15-33-21-13-9-19(10-14-21)23-16-22(18-7-11-20(12-8-18)27(2,3)4)24(26(32)30-23)25-28-17-29-31-25;1-2-3-12-31-18-10-8-16(9-11-18)20-14-19(22-13-17-6-4-5-7-21(17)32-22)23(25(30)28-20)24-26-15-27-29-24;1-2-3-4-13-31-18-9-7-16(8-10-18)20-14-19(22-12-11-21(32-22)17-5-6-17)23(25(30)28-20)24-26-15-27-29-24/h8-19,21H,6-7,20H2,1-5H3,(H,34,36)(H,35,37);7-14,16-17H,5-6,15H2,1-4H3,(H,30,32)(H,28,29,31);4-11,13-15H,2-3,12H2,1H3,(H,28,30)(H,26,27,29);7-12,14-15,17H,2-6,13H2,1H3,(H,28,30)(H,26,27,29)
InChIKeyRLXGCRCCZPGFNF-UHFFFAOYSA-N
XLogP25.61
TPSA322.17 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds31
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001840.34
LogP ≤ 525.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one with MolForge

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Related Compounds

4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 137226641
4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 137226690
N-(4-methoxyphenyl)-4-(4-methylphenyl)-2-oxo-6-[4-(4,4,4-trifluorobutoxy)phenyl]-1H-pyridine-3-carboxamide
CID 129050899
6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 129064687
6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 161346548
3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 158760933
6-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-propan-2-ylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(1-ethylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 158820485
6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
CID 129064543
3-(4-butoxyphenyl)-5-phenyl-1H-pyrrole-2-carboxylic acid
CID 70836257
6-cyclohexyl-4-[2-(dimethylamino)-1,3-thiazol-5-yl]-N-(4-ethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 129017223
2-[(4-decoxyphenyl)carbamoyl]benzoic acid
CID 51001456
ethane;N-[4-(4-methylphenyl)-2-oxo-6-[4-(4,4,4-trifluorobutoxy)phenyl]-1H-pyridin-3-yl]-2H-tetrazole-5-carboxamide
CID 144977582

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (CID 160662874) is 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is CCCCCOc1ccc(-c2cc(-c3ccc(C4CC4)s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3cc4ccccc4s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C(=O)Nc3ccc(C)cc3)c(=O)[nH]2)cc1.
What is the InChIKey of 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The InChIKey is RLXGCRCCZPGFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O3.C27H30N4O2.C25H22N4O2S.C25H26N4O2S/c1-6-7-20-38-27-18-12-24(13-19-27)29-21-28(23-10-14-25(15-11-23)33(3,4)5)30(32(37)35-29)31(36)34-26-16-8-22(2)9-17-26;1-5-6-15-33-21-13-9-19(10-14-21)23-16-22(18-7-11-20(12-8-18)27(2,3)4)24(26(32)30-23)25-28-17-29-31-25;1-2-3-12-31-18-10-8-16(9-11-18)20-14-19(22-13-17-6-4-5-7-21(17)32-22)23(25(30)28-20)24-26-15-27-29-24;1-2-3-4-13-31-18-9-7-16(8-10-18)20-14-19(22-12-11-21(32-22)17-5-6-17)23(25(30)28-20)24-26-15-27-29-24/h8-19,21H,6-7,20H2,1-5H3,(H,34,36)(H,35,37);7-14,16-17H,5-6,15H2,1-4H3,(H,30,32)(H,28,29,31);4-11,13-15H,2-3,12H2,1H3,(H,28,30)(H,26,27,29);7-12,14-15,17H,2-6,13H2,1H3,(H,28,30)(H,26,27,29).
What are the key properties of 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one has a molecular weight of 1840.34 g/mol, XLogP of 25.61, 31 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 160662874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).