7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole

C24H30N4 — CID 126494248

IUPAC7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole
SMILESCc1ccc2[nH]ncc2c1C(C)(C)Cc1[nH]nc2c(C(C)(C)C)c(C)ccc12
InChIInChI=1S/C24H30N4/c1-14-9-11-18-17(13-25-26-18)20(14)24(6,7)12-19-16-10-8-15(2)21(23(3,4)5)22(16)28-27-19/h8-11,13H,12H2,1-7H3,(H,25,26)(H,27,28)
InChIKeyAXCZJFAUWMSGHU-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.87
Rot. Bonds3

About 7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole

7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole (PubChem CID 126494248) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole.

Molecular Properties

Compound Name7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole
PubChem CID126494248
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole
SMILESCc1ccc2[nH]ncc2c1C(C)(C)Cc1[nH]nc2c(C(C)(C)C)c(C)ccc12
InChIInChI=1S/C24H30N4/c1-14-9-11-18-17(13-25-26-18)20(14)24(6,7)12-19-16-10-8-15(2)21(23(3,4)5)22(16)28-27-19/h8-11,13H,12H2,1-7H3,(H,25,26)(H,27,28)
InChIKeyAXCZJFAUWMSGHU-UHFFFAOYSA-N
XLogP5.87
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole
CID 166881444
4-tert-butyl-5-ethyl-1H-indazole
CID 145378241
4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol
CID 162239352
5-tert-butyl-4-methyl-1H-indazole
CID 134492253
5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole
CID 177150277
(4-methyl-1H-indazol-5-yl)methanol
CID 170907385
3,6,7,8-tetrahydrocyclopenta[e]indazole
CID 59145851
5-chloro-6-fluoro-4-(2-methylbutan-2-yl)-1H-indazole
CID 170282210
methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate
CID 146457057
4-(2-methylbut-3-en-2-yl)-1H-indazole
CID 123509900
4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 167756321
7H-pyrazolo[5,4-h]quinazoline-2,4-diamine
CID 166549487

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole?
The IUPAC name of 7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole (CID 126494248) is 7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole.
What is the SMILES notation for 7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole?
The canonical SMILES for 7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole is Cc1ccc2[nH]ncc2c1C(C)(C)Cc1[nH]nc2c(C(C)(C)C)c(C)ccc12.
What is the InChIKey of 7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole?
The InChIKey is AXCZJFAUWMSGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-14-9-11-18-17(13-25-26-18)20(14)24(6,7)12-19-16-10-8-15(2)21(23(3,4)5)22(16)28-27-19/h8-11,13H,12H2,1-7H3,(H,25,26)(H,27,28).
What are the key properties of 7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole?
7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole has a molecular weight of 374.53 g/mol, XLogP of 5.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole is sourced from PubChem (CID 126494248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).