4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol

C26H30N2O — CID 134386247

IUPAC4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol
SMILESCc1c(CC(C)(C)c2cc(O)cc3ccccc23)cc2cn[nH]c2c1C(C)(C)C
InChIInChI=1S/C26H30N2O/c1-16-18(11-19-15-27-28-24(19)23(16)25(2,3)4)14-26(5,6)22-13-20(29)12-17-9-7-8-10-21(17)22/h7-13,15,29H,14H2,1-6H3,(H,27,28)
InChIKeyNUEJLNWSWBUGKR-UHFFFAOYSA-N
MW386.54 g/mol
LogP6.55
Rot. Bonds3

About 4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol

4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol (PubChem CID 134386247) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol
PubChem CID134386247
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol
SMILESCc1c(CC(C)(C)c2cc(O)cc3ccccc23)cc2cn[nH]c2c1C(C)(C)C
InChIInChI=1S/C26H30N2O/c1-16-18(11-19-15-27-28-24(19)23(16)25(2,3)4)14-26(5,6)22-13-20(29)12-17-9-7-8-10-21(17)22/h7-13,15,29H,14H2,1-6H3,(H,27,28)
InChIKeyNUEJLNWSWBUGKR-UHFFFAOYSA-N
XLogP6.55
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Hydroxybenzindazole
CID 97667
(9S)-9-methyl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaen-16-ol
CID 44403843
4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole
CID 136901416
4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 155540488
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
CID 155549690
N-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155554939
N-[6-(4-hydroxy-2-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155560413
3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol
CID 164621474
4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol
CID 166626703
4-(1H-indazol-6-yl)phenol
CID 136301774
2-fluoro-4-(1H-indazol-6-yl)phenol
CID 145956264
3-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
CID 21877386

Frequently Asked Questions

What is the IUPAC name of 4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol?
The IUPAC name of 4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol (CID 134386247) is 4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol?
The canonical SMILES for 4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol is Cc1c(CC(C)(C)c2cc(O)cc3ccccc23)cc2cn[nH]c2c1C(C)(C)C.
What is the InChIKey of 4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol?
The InChIKey is NUEJLNWSWBUGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-16-18(11-19-15-27-28-24(19)23(16)25(2,3)4)14-26(5,6)22-13-20(29)12-17-9-7-8-10-21(17)22/h7-13,15,29H,14H2,1-6H3,(H,27,28).
What are the key properties of 4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol?
4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol has a molecular weight of 386.54 g/mol, XLogP of 6.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol is sourced from PubChem (CID 134386247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).