4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole

C24H30N4 — CID 166881444

IUPAC4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole
SMILESCc1ccc2[nH]ncc2c1C(C)(C)Cn1ncc2c(C(C)(C)C)c(C)ccc21
InChIInChI=1S/C24H30N4/c1-15-9-11-20-18(21(15)23(3,4)5)13-26-28(20)14-24(6,7)22-16(2)8-10-19-17(22)12-25-27-19/h8-13H,14H2,1-7H3,(H,25,27)
InChIKeyGCQPFRVNHONEFR-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.80
Rot. Bonds3

About 4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole

4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole (PubChem CID 166881444) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole.

Molecular Properties

Compound Name4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole
PubChem CID166881444
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole
SMILESCc1ccc2[nH]ncc2c1C(C)(C)Cn1ncc2c(C(C)(C)C)c(C)ccc21
InChIInChI=1S/C24H30N4/c1-15-9-11-20-18(21(15)23(3,4)5)13-26-28(20)14-24(6,7)22-16(2)8-10-19-17(22)12-25-27-19/h8-13H,14H2,1-7H3,(H,25,27)
InChIKeyGCQPFRVNHONEFR-UHFFFAOYSA-N
XLogP5.80
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole?
The IUPAC name of 4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole (CID 166881444) is 4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole.
What is the SMILES notation for 4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole?
The canonical SMILES for 4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole is Cc1ccc2[nH]ncc2c1C(C)(C)Cn1ncc2c(C(C)(C)C)c(C)ccc21.
What is the InChIKey of 4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole?
The InChIKey is GCQPFRVNHONEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-15-9-11-20-18(21(15)23(3,4)5)13-26-28(20)14-24(6,7)22-16(2)8-10-19-17(22)12-25-27-19/h8-13H,14H2,1-7H3,(H,25,27).
What are the key properties of 4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole?
4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole has a molecular weight of 374.53 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole is sourced from PubChem (CID 166881444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).