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

C70H78N18O6 — CID 158820485

IUPAC6-(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
SMILESCCCCCCOc1ccc(-c2cc(-c3ccn(CC)n3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccn(C(C)C)n3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccn(C4CC4)n3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1
InChIInChI=1S/C24H28N6O2.C23H24N6O2.C23H26N6O2/c1-3-5-6-7-14-32-18-10-8-17(9-11-18)21-15-19(20-12-13-30(4-2)29-20)22(24(31)27-21)23-25-16-26-28-23;1-2-3-12-31-17-8-4-15(5-9-17)20-13-18(19-10-11-29(28-19)16-6-7-16)21(23(30)26-20)22-24-14-25-27-22;1-4-5-12-31-17-8-6-16(7-9-17)20-13-18(19-10-11-29(28-19)15(2)3)21(23(30)26-20)22-24-14-25-27-22/h8-13,15-16H,3-7,14H2,1-2H3,(H,27,31)(H,25,26,28);4-5,8-11,13-14,16H,2-3,6-7,12H2,1H3,(H,26,30)(H,24,25,27);6-11,13-15H,4-5,12H2,1-3H3,(H,26,30)(H,24,25,27)
InChIKeyIVUPQCSVOTYAOJ-UHFFFAOYSA-N
MW1267.51 g/mol
LogP13.32
Rot. Bonds26

About 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

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 (PubChem CID 158820485) has the molecular formula C70H78N18O6 and a molecular weight of 1267.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID158820485
Molecular FormulaC70H78N18O6
Molecular Weight1267.51 g/mol
Exact Mass1266.64
IUPAC Name6-(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
SMILESCCCCCCOc1ccc(-c2cc(-c3ccn(CC)n3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccn(C(C)C)n3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccn(C4CC4)n3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1
InChIInChI=1S/C24H28N6O2.C23H24N6O2.C23H26N6O2/c1-3-5-6-7-14-32-18-10-8-17(9-11-18)21-15-19(20-12-13-30(4-2)29-20)22(24(31)27-21)23-25-16-26-28-23;1-2-3-12-31-17-8-4-15(5-9-17)20-13-18(19-10-11-29(28-19)16-6-7-16)21(23(30)26-20)22-24-14-25-27-22;1-4-5-12-31-17-8-6-16(7-9-17)20-13-18(19-10-11-29(28-19)15(2)3)21(23(30)26-20)22-24-14-25-27-22/h8-13,15-16H,3-7,14H2,1-2H3,(H,27,31)(H,25,26,28);4-5,8-11,13-14,16H,2-3,6-7,12H2,1H3,(H,26,30)(H,24,25,27);6-11,13-15H,4-5,12H2,1-3H3,(H,26,30)(H,24,25,27)
InChIKeyIVUPQCSVOTYAOJ-UHFFFAOYSA-N
XLogP13.32
TPSA304.44 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001267.51
LogP ≤ 513.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrazol-3-yl)-3-(3H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 129064656
4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137226607
4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 137226641
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
2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one
CID 130444459
4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(2H-tetrazol-5-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one
CID 137179219
6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 159358147
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
(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one
CID 130444546
4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 137226690
2,7-bis(4-octoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781822
6-[4-(4,4-dimethylcyclohexyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 137226694

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCOc1ccc(-c2cc(-c3ccn(CC)n3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccn(C(C)C)n3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccn(C4CC4)n3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.
What is the InChIKey of 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?
The InChIKey is IVUPQCSVOTYAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2.C23H24N6O2.C23H26N6O2/c1-3-5-6-7-14-32-18-10-8-17(9-11-18)21-15-19(20-12-13-30(4-2)29-20)22(24(31)27-21)23-25-16-26-28-23;1-2-3-12-31-17-8-4-15(5-9-17)20-13-18(19-10-11-29(28-19)16-6-7-16)21(23(30)26-20)22-24-14-25-27-22;1-4-5-12-31-17-8-6-16(7-9-17)20-13-18(19-10-11-29(28-19)15(2)3)21(23(30)26-20)22-24-14-25-27-22/h8-13,15-16H,3-7,14H2,1-2H3,(H,27,31)(H,25,26,28);4-5,8-11,13-14,16H,2-3,6-7,12H2,1H3,(H,26,30)(H,24,25,27);6-11,13-15H,4-5,12H2,1-3H3,(H,26,30)(H,24,25,27).
What are the key properties of 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?
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 has a molecular weight of 1267.51 g/mol, XLogP of 13.32, 26 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158820485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).