[2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate

C111H90N16O15S5 — CID 158484010

IUPAC[2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESCC(C)COc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.CCCCOc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(OC4CCCC4)cc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(OCc4ccccc4)cc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(OCc4cccnc4)cc32)n1
InChIInChI=1S/C24H17N3O3S.C23H16N4O3S.C22H19N3O3S.2C21H19N3O3S/c28-16-30-22-15-31-24(25-22)27-21-13-19(29-14-17-7-3-1-4-8-17)11-12-20(21)23(26-27)18-9-5-2-6-10-18;28-15-30-21-14-31-23(25-21)27-20-11-18(29-13-16-5-4-10-24-12-16)8-9-19(20)22(26-27)17-6-2-1-3-7-17;26-14-27-20-13-29-22(23-20)25-19-12-17(28-16-8-4-5-9-16)10-11-18(19)21(24-25)15-6-2-1-3-7-15;1-14(2)11-26-16-8-9-17-18(10-16)24(21-22-19(12-28-21)27-13-25)23-20(17)15-6-4-3-5-7-15;1-2-3-11-26-16-9-10-17-18(12-16)24(21-22-19(13-28-21)27-14-25)23-20(17)15-7-5-4-6-8-15/h1-13,15-16H,14H2;1-12,14-15H,13H2;1-3,6-7,10-14,16H,4-5,8-9H2;3-10,12-14H,11H2,1-2H3;4-10,12-14H,2-3,11H2,1H3
InChIKeyHHWDAIMLQDFCMK-UHFFFAOYSA-N
MW2048.37 g/mol
LogP24.51
Rot. Bonds35

About [2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate

[2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 158484010) has the molecular formula C111H90N16O15S5 and a molecular weight of 2048.37 g/mol. Its IUPAC name is [2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate
PubChem CID158484010
Molecular FormulaC111H90N16O15S5
Molecular Weight2048.37 g/mol
Exact Mass2046.54
IUPAC Name[2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESCC(C)COc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.CCCCOc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(OC4CCCC4)cc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(OCc4ccccc4)cc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(OCc4cccnc4)cc32)n1
InChIInChI=1S/C24H17N3O3S.C23H16N4O3S.C22H19N3O3S.2C21H19N3O3S/c28-16-30-22-15-31-24(25-22)27-21-13-19(29-14-17-7-3-1-4-8-17)11-12-20(21)23(26-27)18-9-5-2-6-10-18;28-15-30-21-14-31-23(25-21)27-20-11-18(29-13-16-5-4-10-24-12-16)8-9-19(20)22(26-27)17-6-2-1-3-7-17;26-14-27-20-13-29-22(23-20)25-19-12-17(28-16-8-4-5-9-16)10-11-18(19)21(24-25)15-6-2-1-3-7-15;1-14(2)11-26-16-8-9-17-18(10-16)24(21-22-19(12-28-21)27-13-25)23-20(17)15-6-4-3-5-7-15;1-2-3-11-26-16-9-10-17-18(12-16)24(21-22-19(13-28-21)27-14-25)23-20(17)15-7-5-4-6-8-15/h1-13,15-16H,14H2;1-12,14-15H,13H2;1-3,6-7,10-14,16H,4-5,8-9H2;3-10,12-14H,11H2,1-2H3;4-10,12-14H,2-3,11H2,1H3
InChIKeyHHWDAIMLQDFCMK-UHFFFAOYSA-N
XLogP24.51
TPSA344.09 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds35
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002048.37
LogP ≤ 524.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate with MolForge

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Related Compounds

[2-[3-(Cyclohexen-1-yl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-(2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 157991006
[2-[3-Phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910770
[2-[3-(4-Methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 123281800
[2-[3-(2,6-Dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-naphthalen-2-ylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-quinolin-8-ylindazol-1-yl)-1,3-thiazol-4-yl] formate
CID 157148386
[2-[3-(4-Chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 158479488
[2-(6-Ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate
CID 159758439
2-[2-[3-(4-Carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole
CID 167345772

Frequently Asked Questions

What is the IUPAC name of [2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 158484010) is [2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate is CC(C)COc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.CCCCOc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(OC4CCCC4)cc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(OCc4ccccc4)cc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(OCc4cccnc4)cc32)n1.
What is the InChIKey of [2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The InChIKey is HHWDAIMLQDFCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3S.C23H16N4O3S.C22H19N3O3S.2C21H19N3O3S/c28-16-30-22-15-31-24(25-22)27-21-13-19(29-14-17-7-3-1-4-8-17)11-12-20(21)23(26-27)18-9-5-2-6-10-18;28-15-30-21-14-31-23(25-21)27-20-11-18(29-13-16-5-4-10-24-12-16)8-9-19(20)22(26-27)17-6-2-1-3-7-17;26-14-27-20-13-29-22(23-20)25-19-12-17(28-16-8-4-5-9-16)10-11-18(19)21(24-25)15-6-2-1-3-7-15;1-14(2)11-26-16-8-9-17-18(10-16)24(21-22-19(12-28-21)27-13-25)23-20(17)15-6-4-3-5-7-15;1-2-3-11-26-16-9-10-17-18(12-16)24(21-22-19(13-28-21)27-14-25)23-20(17)15-7-5-4-6-8-15/h1-13,15-16H,14H2;1-12,14-15H,13H2;1-3,6-7,10-14,16H,4-5,8-9H2;3-10,12-14H,11H2,1-2H3;4-10,12-14H,2-3,11H2,1H3.
What are the key properties of [2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate?
[2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 2048.37 g/mol, XLogP of 24.51, 35 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 158484010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).