4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol

C161H137ClF7N31O21 — CID 158989320

IUPAC4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESCOc1cc(O)c(-c2ccn(-c3ccccn3)n2)cc1OC.COc1cc(O)c(-c2ccn(-c3ncccc3C)n2)cc1OC.COc1cc(OCc2ccccc2)c(-c2ccn(-c3ccccn3)n2)cc1OC.COc1cc(OCc2ccccc2)c(-c2ccnn2-c2ncccc2C)cc1OC.COc1ccc(-c2ccn(-c3ncccc3C)n2)c(O)c1OC.COc1ccc(O)c(-c2n[nH]c(-c3nccc4ccccc34)n2)c1.COc1ccc(O)c(-c2n[nH]c(-c3ncccc3C(F)(F)F)n2)c1.Oc1ccc(Cl)cc1-c1n[nH]c(-c2ncccc2C(F)(F)F)n1.Oc1ccc(F)cc1-c1n[nH]c(-c2nccc3ccccc23)n1
InChIInChI=1S/C24H23N3O3.C23H21N3O3.C18H14N4O2.C17H11FN4O.2C17H17N3O3.C16H15N3O3.C15H11F3N4O2.C14H8ClF3N4O/c1-17-8-7-12-25-24(17)27-20(11-13-26-27)19-14-22(28-2)23(29-3)15-21(19)30-16-18-9-5-4-6-10-18;1-27-21-14-18(19-11-13-26(25-19)23-10-6-7-12-24-23)20(15-22(21)28-2)29-16-17-8-4-3-5-9-17;1-24-12-6-7-15(23)14(10-12)17-20-18(22-21-17)16-13-5-3-2-4-11(13)8-9-19-16;18-11-5-6-14(23)13(9-11)16-20-17(22-21-16)15-12-4-2-1-3-10(12)7-8-19-15;1-11-5-4-9-18-17(11)20-10-8-13(19-20)12-6-7-14(22-2)16(23-3)15(12)21;1-11-5-4-7-18-17(11)20-8-6-13(19-20)12-9-15(22-2)16(23-3)10-14(12)21;1-21-14-9-11(13(20)10-15(14)22-2)12-6-8-19(18-12)16-5-3-4-7-17-16;1-24-8-4-5-11(23)9(7-8)13-20-14(22-21-13)12-10(15(16,17)18)3-2-6-19-12;15-7-3-4-10(23)8(6-7)12-20-13(22-21-12)11-9(14(16,17)18)2-1-5-19-11/h4-15H,16H2,1-3H3;3-15H,16H2,1-2H3;2-10,23H,1H3,(H,20,21,22);1-9,23H,(H,20,21,22);2*4-10,21H,1-3H3;3-10,20H,1-2H3;2-7,23H,1H3,(H,20,21,22);1-6,23H,(H,20,21,22)
InChIKeyJPYUHJVYWPJLTD-UHFFFAOYSA-N
MW3010.50 g/mol
LogP32.07
Rot. Bonds36

About 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol

4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 158989320) has the molecular formula C161H137ClF7N31O21 and a molecular weight of 3010.50 g/mol. Its IUPAC name is 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol
PubChem CID158989320
Molecular FormulaC161H137ClF7N31O21
Molecular Weight3010.50 g/mol
Exact Mass3008.02
IUPAC Name4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESCOc1cc(O)c(-c2ccn(-c3ccccn3)n2)cc1OC.COc1cc(O)c(-c2ccn(-c3ncccc3C)n2)cc1OC.COc1cc(OCc2ccccc2)c(-c2ccn(-c3ccccn3)n2)cc1OC.COc1cc(OCc2ccccc2)c(-c2ccnn2-c2ncccc2C)cc1OC.COc1ccc(-c2ccn(-c3ncccc3C)n2)c(O)c1OC.COc1ccc(O)c(-c2n[nH]c(-c3nccc4ccccc34)n2)c1.COc1ccc(O)c(-c2n[nH]c(-c3ncccc3C(F)(F)F)n2)c1.Oc1ccc(Cl)cc1-c1n[nH]c(-c2ncccc2C(F)(F)F)n1.Oc1ccc(F)cc1-c1n[nH]c(-c2nccc3ccccc23)n1
InChIInChI=1S/C24H23N3O3.C23H21N3O3.C18H14N4O2.C17H11FN4O.2C17H17N3O3.C16H15N3O3.C15H11F3N4O2.C14H8ClF3N4O/c1-17-8-7-12-25-24(17)27-20(11-13-26-27)19-14-22(28-2)23(29-3)15-21(19)30-16-18-9-5-4-6-10-18;1-27-21-14-18(19-11-13-26(25-19)23-10-6-7-12-24-23)20(15-22(21)28-2)29-16-17-8-4-3-5-9-17;1-24-12-6-7-15(23)14(10-12)17-20-18(22-21-17)16-13-5-3-2-4-11(13)8-9-19-16;18-11-5-6-14(23)13(9-11)16-20-17(22-21-16)15-12-4-2-1-3-10(12)7-8-19-15;1-11-5-4-9-18-17(11)20-10-8-13(19-20)12-6-7-14(22-2)16(23-3)15(12)21;1-11-5-4-7-18-17(11)20-8-6-13(19-20)12-9-15(22-2)16(23-3)10-14(12)21;1-21-14-9-11(13(20)10-15(14)22-2)12-6-8-19(18-12)16-5-3-4-7-17-16;1-24-8-4-5-11(23)9(7-8)13-20-14(22-21-13)12-10(15(16,17)18)3-2-6-19-12;15-7-3-4-10(23)8(6-7)12-20-13(22-21-12)11-9(14(16,17)18)2-1-5-19-11/h4-15H,16H2,1-3H3;3-15H,16H2,1-2H3;2-10,23H,1H3,(H,20,21,22);1-9,23H,(H,20,21,22);2*4-10,21H,1-3H3;3-10,20H,1-2H3;2-7,23H,1H3,(H,20,21,22);1-6,23H,(H,20,21,22)
InChIKeyJPYUHJVYWPJLTD-UHFFFAOYSA-N
XLogP32.07
TPSA642.22 Ų
H-Bond Donors11
H-Bond Acceptors48
Rotatable Bonds36
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003010.50
LogP ≤ 532.07
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1048

Analyze 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol with MolForge

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Launch Full Analysis

Related Compounds

6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 157394007
4-(1-Aminoethenyl)-1-methyl-3-(2-methyl-4-pyridinyl)pyrazol-5-amine;6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 157630618
6-(4-Amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 161005975

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol (CID 158989320) is 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol is COc1cc(O)c(-c2ccn(-c3ccccn3)n2)cc1OC.COc1cc(O)c(-c2ccn(-c3ncccc3C)n2)cc1OC.COc1cc(OCc2ccccc2)c(-c2ccn(-c3ccccn3)n2)cc1OC.COc1cc(OCc2ccccc2)c(-c2ccnn2-c2ncccc2C)cc1OC.COc1ccc(-c2ccn(-c3ncccc3C)n2)c(O)c1OC.COc1ccc(O)c(-c2n[nH]c(-c3nccc4ccccc34)n2)c1.COc1ccc(O)c(-c2n[nH]c(-c3ncccc3C(F)(F)F)n2)c1.Oc1ccc(Cl)cc1-c1n[nH]c(-c2ncccc2C(F)(F)F)n1.Oc1ccc(F)cc1-c1n[nH]c(-c2nccc3ccccc23)n1.
What is the InChIKey of 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is JPYUHJVYWPJLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3.C23H21N3O3.C18H14N4O2.C17H11FN4O.2C17H17N3O3.C16H15N3O3.C15H11F3N4O2.C14H8ClF3N4O/c1-17-8-7-12-25-24(17)27-20(11-13-26-27)19-14-22(28-2)23(29-3)15-21(19)30-16-18-9-5-4-6-10-18;1-27-21-14-18(19-11-13-26(25-19)23-10-6-7-12-24-23)20(15-22(21)28-2)29-16-17-8-4-3-5-9-17;1-24-12-6-7-15(23)14(10-12)17-20-18(22-21-17)16-13-5-3-2-4-11(13)8-9-19-16;18-11-5-6-14(23)13(9-11)16-20-17(22-21-16)15-12-4-2-1-3-10(12)7-8-19-15;1-11-5-4-9-18-17(11)20-10-8-13(19-20)12-6-7-14(22-2)16(23-3)15(12)21;1-11-5-4-7-18-17(11)20-8-6-13(19-20)12-9-15(22-2)16(23-3)10-14(12)21;1-21-14-9-11(13(20)10-15(14)22-2)12-6-8-19(18-12)16-5-3-4-7-17-16;1-24-8-4-5-11(23)9(7-8)13-20-14(22-21-13)12-10(15(16,17)18)3-2-6-19-12;15-7-3-4-10(23)8(6-7)12-20-13(22-21-12)11-9(14(16,17)18)2-1-5-19-11/h4-15H,16H2,1-3H3;3-15H,16H2,1-2H3;2-10,23H,1H3,(H,20,21,22);1-9,23H,(H,20,21,22);2*4-10,21H,1-3H3;3-10,20H,1-2H3;2-7,23H,1H3,(H,20,21,22);1-6,23H,(H,20,21,22).
What are the key properties of 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 3010.50 g/mol, XLogP of 32.07, 36 rotatable bonds, 11 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol;2,3-dimethoxy-6-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;4,5-dimethoxy-2-[1-(3-methyl-2-pyridinyl)pyrazol-3-yl]phenol;2-[5-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol;4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol;2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-methoxyphenol;4-methoxy-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 158989320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).