3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione

C22H29N5O2 — CID 169265697

IUPAC3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione
SMILESCNC1CCN(c2ccc3c(C4CCC(=O)NC4=O)nn(C)c3c2)C2(CCC2)C1
InChIInChI=1S/C22H29N5O2/c1-23-14-8-11-27(22(13-14)9-3-10-22)15-4-5-16-18(12-15)26(2)25-20(16)17-6-7-19(28)24-21(17)29/h4-5,12,14,17,23H,3,6-11,13H2,1-2H3,(H,24,28,29)
InChIKeySNTWMUBFMALMCH-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.20
Rot. Bonds3

About 3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione

3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione (PubChem CID 169265697) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione
PubChem CID169265697
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione
SMILESCNC1CCN(c2ccc3c(C4CCC(=O)NC4=O)nn(C)c3c2)C2(CCC2)C1
InChIInChI=1S/C22H29N5O2/c1-23-14-8-11-27(22(13-14)9-3-10-22)15-4-5-16-18(12-15)26(2)25-20(16)17-6-7-19(28)24-21(17)29/h4-5,12,14,17,23H,3,6-11,13H2,1-2H3,(H,24,28,29)
InChIKeySNTWMUBFMALMCH-UHFFFAOYSA-N
XLogP2.20
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[1-methyl-6-(3-methyl-2-oxopiperidin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 176947865
4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde
CID 178160939
2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid
CID 156507226
3-[1-methyl-6-[3-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170322501
3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170434898
3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride
CID 172587152
3-[6-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 171108214
3-[6-[4-(4-cyclohexylbutyl)piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 175632297
3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione
CID 167239159
3-[6-[4-[difluoro(piperidin-4-yl)methyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 178161716
3-[1-methyl-6-[3-(piperidin-4-ylmethyl)pyrrolidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170629938
3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321853

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione (CID 169265697) is 3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione is CNC1CCN(c2ccc3c(C4CCC(=O)NC4=O)nn(C)c3c2)C2(CCC2)C1.
What is the InChIKey of 3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione?
The InChIKey is SNTWMUBFMALMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-23-14-8-11-27(22(13-14)9-3-10-22)15-4-5-16-18(12-15)26(2)25-20(16)17-6-7-19(28)24-21(17)29/h4-5,12,14,17,23H,3,6-11,13H2,1-2H3,(H,24,28,29).
What are the key properties of 3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione?
3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione has a molecular weight of 395.51 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 169265697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).