8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol

C25H28N2O — CID 138507171

IUPAC8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol
SMILESCc1ccc2[nH]ncc2c1C(C)(C)Cc1cccc2c(C(C)C)cc(O)cc12
InChIInChI=1S/C25H28N2O/c1-15(2)20-11-18(28)12-21-17(7-6-8-19(20)21)13-25(4,5)24-16(3)9-10-23-22(24)14-26-27-23/h6-12,14-15,28H,13H2,1-5H3,(H,26,27)
InChIKeyIUPJTAMTSZUTDY-UHFFFAOYSA-N
MW372.51 g/mol
LogP6.37
Rot. Bonds4

About 8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol

8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol (PubChem CID 138507171) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol.

Molecular Properties

Compound Name8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol
PubChem CID138507171
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol
SMILESCc1ccc2[nH]ncc2c1C(C)(C)Cc1cccc2c(C(C)C)cc(O)cc12
InChIInChI=1S/C25H28N2O/c1-15(2)20-11-18(28)12-21-17(7-6-8-19(20)21)13-25(4,5)24-16(3)9-10-23-22(24)14-26-27-23/h6-12,14-15,28H,13H2,1-5H3,(H,26,27)
InChIKeyIUPJTAMTSZUTDY-UHFFFAOYSA-N
XLogP6.37
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol?
The IUPAC name of 8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol (CID 138507171) is 8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol.
What is the SMILES notation for 8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol?
The canonical SMILES for 8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol is Cc1ccc2[nH]ncc2c1C(C)(C)Cc1cccc2c(C(C)C)cc(O)cc12.
What is the InChIKey of 8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol?
The InChIKey is IUPJTAMTSZUTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-15(2)20-11-18(28)12-21-17(7-6-8-19(20)21)13-25(4,5)24-16(3)9-10-23-22(24)14-26-27-23/h6-12,14-15,28H,13H2,1-5H3,(H,26,27).
What are the key properties of 8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol?
8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol has a molecular weight of 372.51 g/mol, XLogP of 6.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-4-propan-2-ylnaphthalen-2-ol is sourced from PubChem (CID 138507171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).