1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid

C26H30N6O3 — CID 53386406

IUPAC1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid
SMILESCc1cc(-c2noc(-c3nn(C)c4c3CCC(C)(C)C4)n2)cc(C)c1CCn1ccc(C(=O)O)n1
InChIInChI=1S/C26H30N6O3/c1-15-12-17(13-16(2)18(15)7-10-32-11-8-20(28-32)25(33)34)23-27-24(35-30-23)22-19-6-9-26(3,4)14-21(19)31(5)29-22/h8,11-13H,6-7,9-10,14H2,1-5H3,(H,33,34)
InChIKeySQYZUDFUXIEACL-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.41
Rot. Bonds6

About 1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid

1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid (PubChem CID 53386406) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid
PubChem CID53386406
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid
SMILESCc1cc(-c2noc(-c3nn(C)c4c3CCC(C)(C)C4)n2)cc(C)c1CCn1ccc(C(=O)O)n1
InChIInChI=1S/C26H30N6O3/c1-15-12-17(13-16(2)18(15)7-10-32-11-8-20(28-32)25(33)34)23-27-24(35-30-23)22-19-6-9-26(3,4)14-21(19)31(5)29-22/h8,11-13H,6-7,9-10,14H2,1-5H3,(H,33,34)
InChIKeySQYZUDFUXIEACL-UHFFFAOYSA-N
XLogP4.41
TPSA111.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide
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CID 57396479
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methylbenzamide
CID 53239560
4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 67154258
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CID 42637061
3-((3-(3-(Aminomethyl)-1,2,4-oxadiazol-5-yl)-1H-indazol-1-yl)methyl)benzamide
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[5-[1-[(4-Pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637208
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-methylbenzamide
CID 90670954
US11352339, Example 151
CID 165112472
[5-[1-(Naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid (CID 53386406) is 1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid is Cc1cc(-c2noc(-c3nn(C)c4c3CCC(C)(C)C4)n2)cc(C)c1CCn1ccc(C(=O)O)n1.
What is the InChIKey of 1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid?
The InChIKey is SQYZUDFUXIEACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-15-12-17(13-16(2)18(15)7-10-32-11-8-20(28-32)25(33)34)23-27-24(35-30-23)22-19-6-9-26(3,4)14-21(19)31(5)29-22/h8,11-13H,6-7,9-10,14H2,1-5H3,(H,33,34).
What are the key properties of 1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid?
1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid has a molecular weight of 474.57 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 53386406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).