2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

C129H97N25O14S6 — CID 158866638

IUPAC2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2c(C)c(-c3ccccc3)nn2-c2nc(C(=O)O)cs2)c(C)n1.COc1ncc(-c2c(C)c(-c3ccccc3)nn2-c2nc(C(=O)O)cs2)c(C)n1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc2ccccc2c1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cccc2cccnc12.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cnc2ccccc2c1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cncnc1
InChIInChI=1S/C24H17N3O2S.2C23H16N4O2S.C21H18N4O3S.C20H17N5O3S.C18H13N5O2S/c1-15-21(17-8-3-2-4-9-17)26-27(24-25-20(14-30-24)23(28)29)22(15)19-12-11-16-7-5-6-10-18(16)13-19;1-14-19(15-7-3-2-4-8-15)26-27(23-25-18(13-30-23)22(28)29)21(14)17-11-5-9-16-10-6-12-24-20(16)17;1-14-20(15-7-3-2-4-8-15)26-27(23-25-19(13-30-23)22(28)29)21(14)17-11-16-9-5-6-10-18(16)24-12-17;1-12-18(14-7-5-4-6-8-14)24-25(21-23-16(11-29-21)20(26)27)19(12)15-9-10-17(28-3)22-13(15)2;1-11-16(13-7-5-4-6-8-13)24-25(20-23-15(10-29-20)18(26)27)17(11)14-9-21-19(28-3)22-12(14)2;1-11-15(12-5-3-2-4-6-12)22-23(16(11)13-7-19-10-20-8-13)18-21-14(9-26-18)17(24)25/h2-14H,1H3,(H,28,29);2*2-13H,1H3,(H,28,29);4-11H,1-3H3,(H,26,27);4-10H,1-3H3,(H,26,27);2-10H,1H3,(H,24,25)
InChIKeyJBHVRJWLDMHFMC-UHFFFAOYSA-N
MW2413.76 g/mol
LogP27.88
Rot. Bonds26

About 2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 158866638) has the molecular formula C129H97N25O14S6 and a molecular weight of 2413.76 g/mol. Its IUPAC name is 2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID158866638
Molecular FormulaC129H97N25O14S6
Molecular Weight2413.76 g/mol
Exact Mass2411.60
IUPAC Name2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2c(C)c(-c3ccccc3)nn2-c2nc(C(=O)O)cs2)c(C)n1.COc1ncc(-c2c(C)c(-c3ccccc3)nn2-c2nc(C(=O)O)cs2)c(C)n1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc2ccccc2c1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cccc2cccnc12.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cnc2ccccc2c1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cncnc1
InChIInChI=1S/C24H17N3O2S.2C23H16N4O2S.C21H18N4O3S.C20H17N5O3S.C18H13N5O2S/c1-15-21(17-8-3-2-4-9-17)26-27(24-25-20(14-30-24)23(28)29)22(15)19-12-11-16-7-5-6-10-18(16)13-19;1-14-19(15-7-3-2-4-8-15)26-27(23-25-18(13-30-23)22(28)29)21(14)17-11-5-9-16-10-6-12-24-20(16)17;1-14-20(15-7-3-2-4-8-15)26-27(23-25-19(13-30-23)22(28)29)21(14)17-11-16-9-5-6-10-18(16)24-12-17;1-12-18(14-7-5-4-6-8-14)24-25(21-23-16(11-29-21)20(26)27)19(12)15-9-10-17(28-3)22-13(15)2;1-11-16(13-7-5-4-6-8-13)24-25(20-23-15(10-29-20)18(26)27)17(11)14-9-21-19(28-3)22-12(14)2;1-11-15(12-5-3-2-4-6-12)22-23(16(11)13-7-19-10-20-8-13)18-21-14(9-26-18)17(24)25/h2-14H,1H3,(H,28,29);2*2-13H,1H3,(H,28,29);4-11H,1-3H3,(H,26,27);4-10H,1-3H3,(H,26,27);2-10H,1H3,(H,24,25)
InChIKeyJBHVRJWLDMHFMC-UHFFFAOYSA-N
XLogP27.88
TPSA516.75 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds26
Heavy Atoms174
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002413.76
LogP ≤ 527.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze 2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 158866638) is 2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is COc1ccc(-c2c(C)c(-c3ccccc3)nn2-c2nc(C(=O)O)cs2)c(C)n1.COc1ncc(-c2c(C)c(-c3ccccc3)nn2-c2nc(C(=O)O)cs2)c(C)n1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc2ccccc2c1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cccc2cccnc12.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cnc2ccccc2c1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cncnc1.
What is the InChIKey of 2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is JBHVRJWLDMHFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2S.2C23H16N4O2S.C21H18N4O3S.C20H17N5O3S.C18H13N5O2S/c1-15-21(17-8-3-2-4-9-17)26-27(24-25-20(14-30-24)23(28)29)22(15)19-12-11-16-7-5-6-10-18(16)13-19;1-14-19(15-7-3-2-4-8-15)26-27(23-25-18(13-30-23)22(28)29)21(14)17-11-5-9-16-10-6-12-24-20(16)17;1-14-20(15-7-3-2-4-8-15)26-27(23-25-19(13-30-23)22(28)29)21(14)17-11-16-9-5-6-10-18(16)24-12-17;1-12-18(14-7-5-4-6-8-14)24-25(21-23-16(11-29-21)20(26)27)19(12)15-9-10-17(28-3)22-13(15)2;1-11-16(13-7-5-4-6-8-13)24-25(20-23-15(10-29-20)18(26)27)17(11)14-9-21-19(28-3)22-12(14)2;1-11-15(12-5-3-2-4-6-12)22-23(16(11)13-7-19-10-20-8-13)18-21-14(9-26-18)17(24)25/h2-14H,1H3,(H,28,29);2*2-13H,1H3,(H,28,29);4-11H,1-3H3,(H,26,27);4-10H,1-3H3,(H,26,27);2-10H,1H3,(H,24,25).
What are the key properties of 2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 2413.76 g/mol, XLogP of 27.88, 26 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(2-methoxy-4-methylpyrimidin-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-quinolin-8-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 158866638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).