6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine

C102H74F8N16O4S — CID 160783827

IUPAC6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2ncccc2-c2cc(C(=O)N3CCOCC3)c3[nH]ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2cc(C(=O)O)c3[nH]ncc3c2)ccc1F.FC(F)(F)c1cccc(-c2ncccc2-c2ccc3[nH]ncc3c2)c1.FC(F)(F)c1cccc(-c2ncccc2-c2cnc3[nH]ncc3c2)c1.c1cc(-c2ncccc2-c2ccc3ncsc3c2)cc(C2CC2)c1
InChIInChI=1S/C24H21FN4O2.C21H16N2S.C20H14FN3O2.C19H12F3N3.C18H11F3N4/c1-15-11-16(4-5-21(15)25)22-19(3-2-6-26-22)17-12-18-14-27-28-23(18)20(13-17)24(30)29-7-9-31-10-8-29;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;20-19(21,22)15-4-1-3-13(10-15)18-16(5-2-8-23-18)12-6-7-17-14(9-12)11-24-25-17;19-18(20,21)14-4-1-3-11(8-14)16-15(5-2-6-22-16)12-7-13-10-24-25-17(13)23-9-12/h2-6,11-14H,7-10H2,1H3,(H,27,28);1-5,8-14H,6-7H2;2-10H,1H3,(H,23,24)(H,25,26);1-11H,(H,24,25);1-10H,(H,23,24,25)
InChIKeySAYAURBQVNGGKX-UHFFFAOYSA-N
MW1771.87 g/mol
LogP24.57
Rot. Bonds13

About 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine

6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine (PubChem CID 160783827) has the molecular formula C102H74F8N16O4S and a molecular weight of 1771.87 g/mol. Its IUPAC name is 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
PubChem CID160783827
Molecular FormulaC102H74F8N16O4S
Molecular Weight1771.87 g/mol
Exact Mass1770.57
IUPAC Name6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2ncccc2-c2cc(C(=O)N3CCOCC3)c3[nH]ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2cc(C(=O)O)c3[nH]ncc3c2)ccc1F.FC(F)(F)c1cccc(-c2ncccc2-c2ccc3[nH]ncc3c2)c1.FC(F)(F)c1cccc(-c2ncccc2-c2cnc3[nH]ncc3c2)c1.c1cc(-c2ncccc2-c2ccc3ncsc3c2)cc(C2CC2)c1
InChIInChI=1S/C24H21FN4O2.C21H16N2S.C20H14FN3O2.C19H12F3N3.C18H11F3N4/c1-15-11-16(4-5-21(15)25)22-19(3-2-6-26-22)17-12-18-14-27-28-23(18)20(13-17)24(30)29-7-9-31-10-8-29;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;20-19(21,22)15-4-1-3-13(10-15)18-16(5-2-8-23-18)12-6-7-17-14(9-12)11-24-25-17;19-18(20,21)14-4-1-3-11(8-14)16-15(5-2-6-22-16)12-7-13-10-24-25-17(13)23-9-12/h2-6,11-14H,7-10H2,1H3,(H,27,28);1-5,8-14H,6-7H2;2-10H,1H3,(H,23,24)(H,25,26);1-11H,(H,24,25);1-10H,(H,23,24,25)
InChIKeySAYAURBQVNGGKX-UHFFFAOYSA-N
XLogP24.57
TPSA271.79 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001771.87
LogP ≤ 524.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

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;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole
CID 157123349
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;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157951652
4-N-(4-aminophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-(1,3-benzothiazol-6-ylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-(1,3-benzothiazol-6-ylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-cyclohexylbenzamide;[4-[[4-(1,3-benzothiazol-6-ylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid
CID 158437888
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carboxylic acid;methyl 2-[6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]acetate
CID 159018211
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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine (CID 160783827) is 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine is Cc1cc(-c2ncccc2-c2cc(C(=O)N3CCOCC3)c3[nH]ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2cc(C(=O)O)c3[nH]ncc3c2)ccc1F.FC(F)(F)c1cccc(-c2ncccc2-c2ccc3[nH]ncc3c2)c1.FC(F)(F)c1cccc(-c2ncccc2-c2cnc3[nH]ncc3c2)c1.c1cc(-c2ncccc2-c2ccc3ncsc3c2)cc(C2CC2)c1.
What is the InChIKey of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is SAYAURBQVNGGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2.C21H16N2S.C20H14FN3O2.C19H12F3N3.C18H11F3N4/c1-15-11-16(4-5-21(15)25)22-19(3-2-6-26-22)17-12-18-14-27-28-23(18)20(13-17)24(30)29-7-9-31-10-8-29;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;20-19(21,22)15-4-1-3-13(10-15)18-16(5-2-8-23-18)12-6-7-17-14(9-12)11-24-25-17;19-18(20,21)14-4-1-3-11(8-14)16-15(5-2-6-22-16)12-7-13-10-24-25-17(13)23-9-12/h2-6,11-14H,7-10H2,1H3,(H,27,28);1-5,8-14H,6-7H2;2-10H,1H3,(H,23,24)(H,25,26);1-11H,(H,24,25);1-10H,(H,23,24,25).
What are the key properties of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine?
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 1771.87 g/mol, XLogP of 24.57, 13 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 160783827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).