6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

C119H90F3N19O4S — CID 160645064

IUPAC6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOC(=O)c1cc(-c2cccnc2-c2ccc(F)c(C)c2)cc2cn[nH]c12.Cc1cc(-c2ncccc2-c2cc(C(=O)O)c3[nH]ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnn3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncnn3c2)c1.c1cc(-c2ncccc2-c2ccc3nccn3c2)cc(C2CC2)c1.c1cc(-c2ncccc2-c2ccc3ncsc3c2)cc(C2CC2)c1
InChIInChI=1S/C21H16FN3O2.C21H17N3.C21H16N2S.C20H14FN3O2.C18H13FN4.C18H14N4/c1-12-8-13(5-6-18(12)22)19-16(4-3-7-23-19)14-9-15-11-24-25-20(15)17(10-14)21(26)27-2;1-3-16(15-6-7-15)13-17(4-1)21-19(5-2-10-23-21)18-8-9-20-22-11-12-24(20)14-18;1-3-15(14-6-7-14)11-17(4-1)21-18(5-2-10-22-21)16-8-9-19-20(12-16)24-13-23-19;1-11-7-12(4-5-17(11)21)18-15(3-2-6-22-18)13-8-14-10-23-24-19(14)16(9-13)20(25)26;1-12-9-13(4-6-16(12)19)18-15(3-2-8-20-18)14-5-7-17-21-11-22-23(17)10-14;1-13-4-2-5-14(10-13)18-16(6-3-9-19-18)15-7-8-17-20-12-21-22(17)11-15/h3-11H,1-2H3,(H,24,25);1-5,8-15H,6-7H2;1-5,8-14H,6-7H2;2-10H,1H3,(H,23,24)(H,25,26);2-11H,1H3;2-12H,1H3
InChIKeyRJRJLHYBNUQIFX-UHFFFAOYSA-N
MW1939.22 g/mol
LogP27.48
Rot. Bonds16

About 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 160645064) has the molecular formula C119H90F3N19O4S and a molecular weight of 1939.22 g/mol. Its IUPAC name is 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID160645064
Molecular FormulaC119H90F3N19O4S
Molecular Weight1939.22 g/mol
Exact Mass1937.71
IUPAC Name6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOC(=O)c1cc(-c2cccnc2-c2ccc(F)c(C)c2)cc2cn[nH]c12.Cc1cc(-c2ncccc2-c2cc(C(=O)O)c3[nH]ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnn3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncnn3c2)c1.c1cc(-c2ncccc2-c2ccc3nccn3c2)cc(C2CC2)c1.c1cc(-c2ncccc2-c2ccc3ncsc3c2)cc(C2CC2)c1
InChIInChI=1S/C21H16FN3O2.C21H17N3.C21H16N2S.C20H14FN3O2.C18H13FN4.C18H14N4/c1-12-8-13(5-6-18(12)22)19-16(4-3-7-23-19)14-9-15-11-24-25-20(15)17(10-14)21(26)27-2;1-3-16(15-6-7-15)13-17(4-1)21-19(5-2-10-23-21)18-8-9-20-22-11-12-24(20)14-18;1-3-15(14-6-7-14)11-17(4-1)21-18(5-2-10-22-21)16-8-9-19-20(12-16)24-13-23-19;1-11-7-12(4-5-17(11)21)18-15(3-2-6-22-18)13-8-14-10-23-24-19(14)16(9-13)20(25)26;1-12-9-13(4-6-16(12)19)18-15(3-2-8-20-18)14-5-7-17-21-11-22-23(17)10-14;1-13-4-2-5-14(10-13)18-16(6-3-9-19-18)15-7-8-17-20-12-21-22(17)11-15/h3-11H,1-2H3,(H,24,25);1-5,8-15H,6-7H2;1-5,8-14H,6-7H2;2-10H,1H3,(H,23,24)(H,25,26);2-11H,1H3;2-12H,1H3
InChIKeyRJRJLHYBNUQIFX-UHFFFAOYSA-N
XLogP27.48
TPSA288.87 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001939.22
LogP ≤ 527.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 160645064) is 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is COC(=O)c1cc(-c2cccnc2-c2ccc(F)c(C)c2)cc2cn[nH]c12.Cc1cc(-c2ncccc2-c2cc(C(=O)O)c3[nH]ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnn3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncnn3c2)c1.c1cc(-c2ncccc2-c2ccc3nccn3c2)cc(C2CC2)c1.c1cc(-c2ncccc2-c2ccc3ncsc3c2)cc(C2CC2)c1.
What is the InChIKey of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RJRJLHYBNUQIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2.C21H17N3.C21H16N2S.C20H14FN3O2.C18H13FN4.C18H14N4/c1-12-8-13(5-6-18(12)22)19-16(4-3-7-23-19)14-9-15-11-24-25-20(15)17(10-14)21(26)27-2;1-3-16(15-6-7-15)13-17(4-1)21-19(5-2-10-23-21)18-8-9-20-22-11-12-24(20)14-18;1-3-15(14-6-7-14)11-17(4-1)21-18(5-2-10-22-21)16-8-9-19-20(12-16)24-13-23-19;1-11-7-12(4-5-17(11)21)18-15(3-2-6-22-18)13-8-14-10-23-24-19(14)16(9-13)20(25)26;1-12-9-13(4-6-16(12)19)18-15(3-2-8-20-18)14-5-7-17-21-11-22-23(17)10-14;1-13-4-2-5-14(10-13)18-16(6-3-9-19-18)15-7-8-17-20-12-21-22(17)11-15/h3-11H,1-2H3,(H,24,25);1-5,8-15H,6-7H2;1-5,8-14H,6-7H2;2-10H,1H3,(H,23,24)(H,25,26);2-11H,1H3;2-12H,1H3.
What are the key properties of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 1939.22 g/mol, XLogP of 27.48, 16 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 160645064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).