4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one

C22H24N4O — CID 127761821

IUPAC4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCCn1ncc2ccc(NC3CCC4(CC3)C(=O)Nc3ccccc34)cc21
InChIInChI=1S/C22H24N4O/c1-2-26-20-13-17(8-7-15(20)14-23-26)24-16-9-11-22(12-10-16)18-5-3-4-6-19(18)25-21(22)27/h3-8,13-14,16,24H,2,9-12H2,1H3,(H,25,27)
InChIKeyKHYBTNRFBZXEIC-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.30
Rot. Bonds3

About 4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one

4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 127761821) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID127761821
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCCn1ncc2ccc(NC3CCC4(CC3)C(=O)Nc3ccccc34)cc21
InChIInChI=1S/C22H24N4O/c1-2-26-20-13-17(8-7-15(20)14-23-26)24-16-9-11-22(12-10-16)18-5-3-4-6-19(18)25-21(22)27/h3-8,13-14,16,24H,2,9-12H2,1H3,(H,25,27)
InChIKeyKHYBTNRFBZXEIC-UHFFFAOYSA-N
XLogP4.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one with MolForge

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Related Compounds

1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one
CID 56903224
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
N-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 136579576
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
(3S,6R)-N-(1-ethylindazol-6-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 95140057
(2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide
CID 120790106
4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 136535620
1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 99816453
N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 119305675
1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 3042074
N-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide
CID 142322594
4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 167762881

Frequently Asked Questions

What is the IUPAC name of 4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one (CID 127761821) is 4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one is CCn1ncc2ccc(NC3CCC4(CC3)C(=O)Nc3ccccc34)cc21.
What is the InChIKey of 4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is KHYBTNRFBZXEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-26-20-13-17(8-7-15(20)14-23-26)24-16-9-11-22(12-10-16)18-5-3-4-6-19(18)25-21(22)27/h3-8,13-14,16,24H,2,9-12H2,1H3,(H,25,27).
What are the key properties of 4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 360.46 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 127761821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).