4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole

C23H27N7 — CID 170973583

IUPAC4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole
SMILESCCn1cc(-c2nc(C3CC4(CNC4)C3)n(C)c2-c2c(C)ccc3[nH]ncc23)cn1
InChIInChI=1S/C23H27N7/c1-4-30-11-16(9-26-30)20-21(19-14(2)5-6-18-17(19)10-25-28-18)29(3)22(27-20)15-7-23(8-15)12-24-13-23/h5-6,9-11,15,24H,4,7-8,12-13H2,1-3H3,(H,25,28)
InChIKeyCDCKGLUAJYXFAJ-UHFFFAOYSA-N
MW401.52 g/mol
LogP3.62
Rot. Bonds4

About 4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole

4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole (PubChem CID 170973583) has the molecular formula C23H27N7 and a molecular weight of 401.52 g/mol. Its IUPAC name is 4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole.

Molecular Properties

Compound Name4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole
PubChem CID170973583
Molecular FormulaC23H27N7
Molecular Weight401.52 g/mol
Exact Mass401.23
IUPAC Name4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole
SMILESCCn1cc(-c2nc(C3CC4(CNC4)C3)n(C)c2-c2c(C)ccc3[nH]ncc23)cn1
InChIInChI=1S/C23H27N7/c1-4-30-11-16(9-26-30)20-21(19-14(2)5-6-18-17(19)10-25-28-18)29(3)22(27-20)15-7-23(8-15)12-24-13-23/h5-6,9-11,15,24H,4,7-8,12-13H2,1-3H3,(H,25,28)
InChIKeyCDCKGLUAJYXFAJ-UHFFFAOYSA-N
XLogP3.62
TPSA76.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole?
The IUPAC name of 4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole (CID 170973583) is 4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole.
What is the SMILES notation for 4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole?
The canonical SMILES for 4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole is CCn1cc(-c2nc(C3CC4(CNC4)C3)n(C)c2-c2c(C)ccc3[nH]ncc23)cn1.
What is the InChIKey of 4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole?
The InChIKey is CDCKGLUAJYXFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7/c1-4-30-11-16(9-26-30)20-21(19-14(2)5-6-18-17(19)10-25-28-18)29(3)22(27-20)15-7-23(8-15)12-24-13-23/h5-6,9-11,15,24H,4,7-8,12-13H2,1-3H3,(H,25,28).
What are the key properties of 4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole?
4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole has a molecular weight of 401.52 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-azaspiro[3.3]heptan-6-yl)-5-(1-ethylpyrazol-4-yl)-3-methylimidazol-4-yl]-5-methyl-1H-indazole is sourced from PubChem (CID 170973583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).