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
SMILESCC1=C(C=C2C=NNC2=C1C(C)(C)C)CC(C)(C)C3=CC(=CC4=CC=CC=C43)O
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
MW386.50 g/mol
LogP7.60
Rot. Bonds4

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 386.50 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 Weight386.50 g/mol
Exact Mass386.24
IUPAC Name4-[1-(7-tert-butyl-6-methyl-1H-indazol-5-yl)-2-methylpropan-2-yl]naphthalen-2-ol
SMILESCC1=C(C=C2C=NNC2=C1C(C)(C)C)CC(C)(C)C3=CC(=CC4=CC=CC=C43)O
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
XLogP7.60
TPSA48.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity568

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 57.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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 CC1=C(C=C2C=NNC2=C1C(C)(C)C)CC(C)(C)C3=CC(=CC4=CC=CC=C43)O.
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 386.50 g/mol, XLogP of 7.60, 4 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).