4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole

C22H24Cl2N4 — CID 175866066

IUPAC4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole
SMILESCCN1CC2(CCCN(c3ccc(-c4cc(Cl)c5cn[nH]c5c4Cl)cc3)C2)C1
InChIInChI=1S/C22H24Cl2N4/c1-2-27-12-22(13-27)8-3-9-28(14-22)16-6-4-15(5-7-16)17-10-19(23)18-11-25-26-21(18)20(17)24/h4-7,10-11H,2-3,8-9,12-14H2,1H3,(H,25,26)
InChIKeyVYTKVHYDTGYXAH-UHFFFAOYSA-N
MW415.37 g/mol
LogP5.46
Rot. Bonds3

About 4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole

4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole (PubChem CID 175866066) has the molecular formula C22H24Cl2N4 and a molecular weight of 415.37 g/mol. Its IUPAC name is 4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole.

Molecular Properties

Compound Name4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole
PubChem CID175866066
Molecular FormulaC22H24Cl2N4
Molecular Weight415.37 g/mol
Exact Mass414.14
IUPAC Name4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole
SMILESCCN1CC2(CCCN(c3ccc(-c4cc(Cl)c5cn[nH]c5c4Cl)cc3)C2)C1
InChIInChI=1S/C22H24Cl2N4/c1-2-27-12-22(13-27)8-3-9-28(14-22)16-6-4-15(5-7-16)17-10-19(23)18-11-25-26-21(18)20(17)24/h4-7,10-11H,2-3,8-9,12-14H2,1H3,(H,25,26)
InChIKeyVYTKVHYDTGYXAH-UHFFFAOYSA-N
XLogP5.46
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.37
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole with MolForge

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Related Compounds

1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol
CID 162718521
4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine
CID 155413165
7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole
CID 162718456
4-(5-azaspiro[2.5]octan-5-yl)benzonitrile
CID 133480870
[1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012686
2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane
CID 141308714
ethane;2-ethyl-8-methyl-2,8-diazaspiro[3.5]nonane
CID 177048791
5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole
CID 158550826
10-ethoxy-12-[6-[9-[(6-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]-3-pyridinyl]-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene
CID 170450980
4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one
CID 114393218
1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 70765763
2-ethyl-2-azaspiro[3.3]heptane
CID 130337259

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole?
The IUPAC name of 4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole (CID 175866066) is 4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole.
What is the SMILES notation for 4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole?
The canonical SMILES for 4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole is CCN1CC2(CCCN(c3ccc(-c4cc(Cl)c5cn[nH]c5c4Cl)cc3)C2)C1.
What is the InChIKey of 4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole?
The InChIKey is VYTKVHYDTGYXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4/c1-2-27-12-22(13-27)8-3-9-28(14-22)16-6-4-15(5-7-16)17-10-19(23)18-11-25-26-21(18)20(17)24/h4-7,10-11H,2-3,8-9,12-14H2,1H3,(H,25,26).
What are the key properties of 4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole?
4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole has a molecular weight of 415.37 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole is sourced from PubChem (CID 175866066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).