ethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide

C63H54F3N9O11 — CID 158977284

IUPACethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCCOC(=O)c1ccc(=O)[nH]c1.CCOC(=O)c1ccc(=O)n(-c2ccc(C)cc2)c1.Cc1ccc(-n2cc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)cn3)ccc2=O)cc1.Cc1ccc(-n2cc(C(=O)O)ccc2=O)cc1
InChIInChI=1S/C27H19F3N6O2.C15H15NO3.C13H11NO3.C8H9NO3/c1-17-4-7-20(8-5-17)35-16-19(6-11-25(35)37)26(38)33-24-10-9-21(15-32-24)36-23(27(28,29)30)13-22(34-36)18-3-2-12-31-14-18;1-3-19-15(18)12-6-9-14(17)16(10-12)13-7-4-11(2)5-8-13;1-9-2-5-11(6-3-9)14-8-10(13(16)17)4-7-12(14)15;1-2-12-8(11)6-3-4-7(10)9-5-6/h2-16H,1H3,(H,32,33,38);4-10H,3H2,1-2H3;2-8H,1H3,(H,16,17);3-5H,2H2,1H3,(H,9,10)
InChIKeyJONZDBGYKHTHFN-UHFFFAOYSA-N
MW1170.17 g/mol
LogP9.78
Rot. Bonds12

About ethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide

ethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 158977284) has the molecular formula C63H54F3N9O11 and a molecular weight of 1170.17 g/mol. Its IUPAC name is ethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Nameethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID158977284
Molecular FormulaC63H54F3N9O11
Molecular Weight1170.17 g/mol
Exact Mass1169.39
IUPAC Nameethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCCOC(=O)c1ccc(=O)[nH]c1.CCOC(=O)c1ccc(=O)n(-c2ccc(C)cc2)c1.Cc1ccc(-n2cc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)cn3)ccc2=O)cc1.Cc1ccc(-n2cc(C(=O)O)ccc2=O)cc1
InChIInChI=1S/C27H19F3N6O2.C15H15NO3.C13H11NO3.C8H9NO3/c1-17-4-7-20(8-5-17)35-16-19(6-11-25(35)37)26(38)33-24-10-9-21(15-32-24)36-23(27(28,29)30)13-22(34-36)18-3-2-12-31-14-18;1-3-19-15(18)12-6-9-14(17)16(10-12)13-7-4-11(2)5-8-13;1-9-2-5-11(6-3-9)14-8-10(13(16)17)4-7-12(14)15;1-2-12-8(11)6-3-4-7(10)9-5-6/h2-16H,1H3,(H,32,33,38);4-10H,3H2,1-2H3;2-8H,1H3,(H,16,17);3-5H,2H2,1H3,(H,9,10)
InChIKeyJONZDBGYKHTHFN-UHFFFAOYSA-N
XLogP9.78
TPSA261.46 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001170.17
LogP ≤ 59.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze ethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

BI-1935
CID 57861407
6-oxo-1-(2-piperidin-1-ylethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 57861335
1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 57861339
{2-oxo-5-[6-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridin-3-ylcarbamoyl]-2H-pyridin-1-yl}-acetic acid ethyl ester
CID 57861358
1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 57861378
1-[3-(ethylamino)-3-oxopropyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 57861386
1-methyl-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 57861409
6-oxo-1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 57861434
1-(2-Methoxy-ethyl)-6-oxo-1,6-dihydro-pyridine-3-carboxylic Acid [6-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridin-3-yl]-amide
CID 57861458
1-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 57861488
1-[3-(diethylamino)-3-oxopropyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 57861503
1-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 57861505

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of ethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 158977284) is ethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for ethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for ethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide is CCOC(=O)c1ccc(=O)[nH]c1.CCOC(=O)c1ccc(=O)n(-c2ccc(C)cc2)c1.Cc1ccc(-n2cc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)cn3)ccc2=O)cc1.Cc1ccc(-n2cc(C(=O)O)ccc2=O)cc1.
What is the InChIKey of ethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is JONZDBGYKHTHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N6O2.C15H15NO3.C13H11NO3.C8H9NO3/c1-17-4-7-20(8-5-17)35-16-19(6-11-25(35)37)26(38)33-24-10-9-21(15-32-24)36-23(27(28,29)30)13-22(34-36)18-3-2-12-31-14-18;1-3-19-15(18)12-6-9-14(17)16(10-12)13-7-4-11(2)5-8-13;1-9-2-5-11(6-3-9)14-8-10(13(16)17)4-7-12(14)15;1-2-12-8(11)6-3-4-7(10)9-5-6/h2-16H,1H3,(H,32,33,38);4-10H,3H2,1-2H3;2-8H,1H3,(H,16,17);3-5H,2H2,1H3,(H,9,10).
What are the key properties of ethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
ethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 1170.17 g/mol, XLogP of 9.78, 12 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methylphenyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(4-methylphenyl)-6-oxopyridine-3-carboxylic acid;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 158977284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).