[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate

C22H19N3O3S — CID 88910776

IUPAC[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3ccc(OC4CCCC4)cc32)n1
InChIInChI=1S/C22H19N3O3S/c26-14-27-20-13-29-22(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/h1-3,6-7,10-14,16H,4-5,8-9H2
InChIKeyYZPOXGLSXPHHIF-UHFFFAOYSA-N
MW405.48 g/mol
LogP5.01
Rot. Bonds6

About [2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate

[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate (PubChem CID 88910776) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is [2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
PubChem CID88910776
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3ccc(OC4CCCC4)cc32)n1
InChIInChI=1S/C22H19N3O3S/c26-14-27-20-13-29-22(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/h1-3,6-7,10-14,16H,4-5,8-9H2
InChIKeyYZPOXGLSXPHHIF-UHFFFAOYSA-N
XLogP5.01
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.48
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate (CID 88910776) is [2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate is O=COc1csc(-n2nc(-c3ccccc3)c3ccc(OC4CCCC4)cc32)n1.
What is the InChIKey of [2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
The InChIKey is YZPOXGLSXPHHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c26-14-27-20-13-29-22(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/h1-3,6-7,10-14,16H,4-5,8-9H2.
What are the key properties of [2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
[2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate has a molecular weight of 405.48 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).