6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

C104H110F10N16O12S4 — CID 161371969

IUPAC6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCCCCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(-c3ncn[nH]3)c(=O)[nH]2)c(C(F)(F)F)c1.CCCCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(C(=O)NS(=O)(=O)C3CC3)c(=O)[nH]2)c(C(F)(F)F)c1.CCCCCCOc1ccc(-c2cc(-c3ccn(CC4CC4)n3)c(-c3ncn[nH]3)c(=O)[nH]2)c(C(F)(F)F)c1.CCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(N3N=NCC3=O)c(=O)[nH]2)c(F)c1
InChIInChI=1S/C28H31F3N2O5S2.C27H29F3N6O2.C26H27F3N4O2S.C23H23FN4O3S/c1-3-5-6-7-14-38-17-8-12-20(22(15-17)28(29,30)31)23-16-21(24-13-9-18(4-2)39-24)25(26(34)32-23)27(35)33-40(36,37)19-10-11-19;1-2-3-4-5-12-38-18-8-9-19(21(13-18)27(28,29)30)23-14-20(22-10-11-36(35-22)15-17-6-7-17)24(26(37)33-23)25-31-16-32-34-25;1-3-5-6-7-12-35-16-8-10-18(20(13-16)26(27,28)29)21-14-19(22-11-9-17(4-2)36-22)23(25(34)32-21)24-30-15-31-33-24;1-3-5-10-31-14-6-8-16(18(24)11-14)19-12-17(20-9-7-15(4-2)32-20)22(23(30)26-19)28-21(29)13-25-27-28/h8-9,12-13,15-16,19H,3-7,10-11,14H2,1-2H3,(H,32,34)(H,33,35);8-11,13-14,16-17H,2-7,12,15H2,1H3,(H,33,37)(H,31,32,34);8-11,13-15H,3-7,12H2,1-2H3,(H,32,34)(H,30,31,33);6-9,11-12H,3-5,10,13H2,1-2H3,(H,26,30)
InChIKeyVQOQJZDHAWNVKL-UHFFFAOYSA-N
MW2094.37 g/mol
LogP25.07
Rot. Bonds41

About 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (PubChem CID 161371969) has the molecular formula C104H110F10N16O12S4 and a molecular weight of 2094.37 g/mol. Its IUPAC name is 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
PubChem CID161371969
Molecular FormulaC104H110F10N16O12S4
Molecular Weight2094.37 g/mol
Exact Mass2092.72
IUPAC Name6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCCCCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(-c3ncn[nH]3)c(=O)[nH]2)c(C(F)(F)F)c1.CCCCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(C(=O)NS(=O)(=O)C3CC3)c(=O)[nH]2)c(C(F)(F)F)c1.CCCCCCOc1ccc(-c2cc(-c3ccn(CC4CC4)n3)c(-c3ncn[nH]3)c(=O)[nH]2)c(C(F)(F)F)c1.CCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(N3N=NCC3=O)c(=O)[nH]2)c(F)c1
InChIInChI=1S/C28H31F3N2O5S2.C27H29F3N6O2.C26H27F3N4O2S.C23H23FN4O3S/c1-3-5-6-7-14-38-17-8-12-20(22(15-17)28(29,30)31)23-16-21(24-13-9-18(4-2)39-24)25(26(34)32-23)27(35)33-40(36,37)19-10-11-19;1-2-3-4-5-12-38-18-8-9-19(21(13-18)27(28,29)30)23-14-20(22-10-11-36(35-22)15-17-6-7-17)24(26(37)33-23)25-31-16-32-34-25;1-3-5-6-7-12-35-16-8-10-18(20(13-16)26(27,28)29)21-14-19(22-11-9-17(4-2)36-22)23(25(34)32-21)24-30-15-31-33-24;1-3-5-10-31-14-6-8-16(18(24)11-14)19-12-17(20-9-7-15(4-2)32-20)22(23(30)26-19)28-21(29)13-25-27-28/h8-9,12-13,15-16,19H,3-7,10-11,14H2,1-2H3,(H,32,34)(H,33,35);8-11,13-14,16-17H,2-7,12,15H2,1H3,(H,33,37)(H,31,32,34);8-11,13-15H,3-7,12H2,1-2H3,(H,32,34)(H,30,31,33);6-9,11-12H,3-5,10,13H2,1-2H3,(H,26,30)
InChIKeyVQOQJZDHAWNVKL-UHFFFAOYSA-N
XLogP25.07
TPSA377.59 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds41
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002094.37
LogP ≤ 525.07
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (CID 161371969) is 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is CCCCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(-c3ncn[nH]3)c(=O)[nH]2)c(C(F)(F)F)c1.CCCCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(C(=O)NS(=O)(=O)C3CC3)c(=O)[nH]2)c(C(F)(F)F)c1.CCCCCCOc1ccc(-c2cc(-c3ccn(CC4CC4)n3)c(-c3ncn[nH]3)c(=O)[nH]2)c(C(F)(F)F)c1.CCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(N3N=NCC3=O)c(=O)[nH]2)c(F)c1.
What is the InChIKey of 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The InChIKey is VQOQJZDHAWNVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N2O5S2.C27H29F3N6O2.C26H27F3N4O2S.C23H23FN4O3S/c1-3-5-6-7-14-38-17-8-12-20(22(15-17)28(29,30)31)23-16-21(24-13-9-18(4-2)39-24)25(26(34)32-23)27(35)33-40(36,37)19-10-11-19;1-2-3-4-5-12-38-18-8-9-19(21(13-18)27(28,29)30)23-14-20(22-10-11-36(35-22)15-17-6-7-17)24(26(37)33-23)25-31-16-32-34-25;1-3-5-6-7-12-35-16-8-10-18(20(13-16)26(27,28)29)21-14-19(22-11-9-17(4-2)36-22)23(25(34)32-21)24-30-15-31-33-24;1-3-5-10-31-14-6-8-16(18(24)11-14)19-12-17(20-9-7-15(4-2)32-20)22(23(30)26-19)28-21(29)13-25-27-28/h8-9,12-13,15-16,19H,3-7,10-11,14H2,1-2H3,(H,32,34)(H,33,35);8-11,13-14,16-17H,2-7,12,15H2,1H3,(H,33,37)(H,31,32,34);8-11,13-15H,3-7,12H2,1-2H3,(H,32,34)(H,30,31,33);6-9,11-12H,3-5,10,13H2,1-2H3,(H,26,30).
What are the key properties of 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one has a molecular weight of 2094.37 g/mol, XLogP of 25.07, 41 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;N-cyclopropylsulfonyl-4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide;4-(5-ethylthiophen-2-yl)-6-[4-hexoxy-2-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 161371969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).