2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

C26H28N6O — CID 67252713

IUPAC2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCn1ncc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21
InChIInChI=1S/C26H28N6O/c1-30-23-9-4-6-19(20(23)16-28-30)18-32-13-5-10-26(25(32)33)11-14-31(15-12-26)24-17-27-21-7-2-3-8-22(21)29-24/h2-4,6-9,16-17H,5,10-15,18H2,1H3
InChIKeyUPYACEDVQZFZPK-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.93
Rot. Bonds3

About 2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 67252713) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID67252713
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCn1ncc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21
InChIInChI=1S/C26H28N6O/c1-30-23-9-4-6-19(20(23)16-28-30)18-32-13-5-10-26(25(32)33)11-14-31(15-12-26)24-17-27-21-7-2-3-8-22(21)29-24/h2-4,6-9,16-17H,5,10-15,18H2,1H3
InChIKeyUPYACEDVQZFZPK-UHFFFAOYSA-N
XLogP3.93
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one with MolForge

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Related Compounds

1-((1H-indol-4-yl)methyl)-9-(quinoxalin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one
CID 67252378
[8-(4-Methylpiperazin-1-yl)-2,3-dihydropyrrolo[3,2-g]isoquinolin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 44404249
2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 53242191
2-((1H-indol-4-yl)methyl)-9-(quinoxalin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
CID 53259112
2-Benzyl-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 53259279
1-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
CID 53259636
(3R)-1,3-dimethyl-6-[[4-(2-methylindazol-4-yl)pyrimidin-2-yl]amino]-4-propan-2-yl-3H-quinoxalin-2-one
CID 162649886
N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)acetamide
CID 10518459
2-phenyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)acetamide
CID 10762204
2,2-diphenyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)acetamide
CID 23643659
N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)isonicotinamide
CID 25212376
N-(2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)acetamide
CID 44427582

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (CID 67252713) is 2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is Cn1ncc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21.
What is the InChIKey of 2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is UPYACEDVQZFZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-30-23-9-4-6-19(20(23)16-28-30)18-32-13-5-10-26(25(32)33)11-14-31(15-12-26)24-17-27-21-7-2-3-8-22(21)29-24/h2-4,6-9,16-17H,5,10-15,18H2,1H3.
What are the key properties of 2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 440.55 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylindazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 67252713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).