6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole

C22H26N4 — CID 58483612

IUPAC6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCC4(CCNC4)C3)ccc12
InChIInChI=1S/C22H26N4/c1-2-20-19-9-8-18(25-13-11-22(16-25)10-12-23-15-22)14-21(19)26(24-20)17-6-4-3-5-7-17/h3-9,14,23H,2,10-13,15-16H2,1H3
InChIKeyTVZXCWHIALPSLA-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.78
Rot. Bonds3

About 6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole

6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole (PubChem CID 58483612) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole.

Molecular Properties

Compound Name6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole
PubChem CID58483612
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCC4(CCNC4)C3)ccc12
InChIInChI=1S/C22H26N4/c1-2-20-19-9-8-18(25-13-11-22(16-25)10-12-23-15-22)14-21(19)26(24-20)17-6-4-3-5-7-17/h3-9,14,23H,2,10-13,15-16H2,1H3
InChIKeyTVZXCWHIALPSLA-UHFFFAOYSA-N
XLogP3.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole?
The IUPAC name of 6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole (CID 58483612) is 6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole.
What is the SMILES notation for 6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole?
The canonical SMILES for 6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole is CCc1nn(-c2ccccc2)c2cc(N3CCC4(CCNC4)C3)ccc12.
What is the InChIKey of 6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole?
The InChIKey is TVZXCWHIALPSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-2-20-19-9-8-18(25-13-11-22(16-25)10-12-23-15-22)14-21(19)26(24-20)17-6-4-3-5-7-17/h3-9,14,23H,2,10-13,15-16H2,1H3.
What are the key properties of 6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole?
6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole has a molecular weight of 346.48 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole is sourced from PubChem (CID 58483612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).