4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol

C26H32N2O — CID 162239352

IUPAC4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol
SMILESCC(C)(C)c1cc(O)cc2ccccc12.Cc1ccc2[nH]ncc2c1C(C)(C)C
InChIInChI=1S/C14H16O.C12H16N2/c1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4/h4-9,15H,1-3H3;5-7H,1-4H3,(H,13,14)
InChIKeyZWMLDKHPGQRAIP-UHFFFAOYSA-N
MW388.56 g/mol
LogP7.01
Rot. Bonds

About 4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol

4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol (PubChem CID 162239352) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol.

Molecular Properties

Compound Name4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol
PubChem CID162239352
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol
SMILESCC(C)(C)c1cc(O)cc2ccccc12.Cc1ccc2[nH]ncc2c1C(C)(C)C
InChIInChI=1S/C14H16O.C12H16N2/c1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4/h4-9,15H,1-3H3;5-7H,1-4H3,(H,13,14)
InChIKeyZWMLDKHPGQRAIP-UHFFFAOYSA-N
XLogP7.01
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole
CID 166881444
5-tert-butyl-4-methyl-1H-indazole
CID 134492253
1-tert-butyl-2-methylnaphthalene
CID 3019593
4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol
CID 167252796
3H-naphtho[2,3-e]indazole
CID 57355763
4-tert-butyl-5-ethyl-1H-indazole
CID 145378241
4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol
CID 169009511
3-tert-butyl-4-methylphenol
CID 13130216
[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-trimethylgermane
CID 177122651
5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole
CID 177150277
bis(1-[4-[8-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 161087845
6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid
CID 170346575

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol?
The IUPAC name of 4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol (CID 162239352) is 4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol.
What is the SMILES notation for 4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol?
The canonical SMILES for 4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol is CC(C)(C)c1cc(O)cc2ccccc12.Cc1ccc2[nH]ncc2c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol?
The InChIKey is ZWMLDKHPGQRAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O.C12H16N2/c1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4/h4-9,15H,1-3H3;5-7H,1-4H3,(H,13,14).
What are the key properties of 4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol?
4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol has a molecular weight of 388.56 g/mol, XLogP of 7.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol is sourced from PubChem (CID 162239352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).