7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

C16H18N4O3 — CID 70718335

IUPAC7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCOc1ccc2n[nH]c(CN3CCC4(CC(=O)NC4=O)C3)c2c1
InChIInChI=1S/C16H18N4O3/c1-23-10-2-3-12-11(6-10)13(19-18-12)8-20-5-4-16(9-20)7-14(21)17-15(16)22/h2-3,6H,4-5,7-9H2,1H3,(H,18,19)(H,17,21,22)
InChIKeyPFCDKWYZNVUPIU-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.81
Rot. Bonds3

About 7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 70718335) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID70718335
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCOc1ccc2n[nH]c(CN3CCC4(CC(=O)NC4=O)C3)c2c1
InChIInChI=1S/C16H18N4O3/c1-23-10-2-3-12-11(6-10)13(19-18-12)8-20-5-4-16(9-20)7-14(21)17-15(16)22/h2-3,6H,4-5,7-9H2,1H3,(H,18,19)(H,17,21,22)
InChIKeyPFCDKWYZNVUPIU-UHFFFAOYSA-N
XLogP0.81
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-8-[(5-methoxy-2H-indazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70719515
(3R,4S)-3-hydroxy-1-[(5-methoxy-2H-indazol-3-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 163316039
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole
CID 56898962
5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole
CID 70716523
(5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 96576097
5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole
CID 70752715
(1R,5S)-6-(cyclobutylmethyl)-3-[(5-methoxy-2H-indazol-3-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133110057
3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56910109
2-(5-methoxy-2H-indazol-3-yl)acetamide
CID 76846209
5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole
CID 154090742
7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501478
3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole
CID 22914807

Frequently Asked Questions

What is the IUPAC name of 7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 70718335) is 7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is COc1ccc2n[nH]c(CN3CCC4(CC(=O)NC4=O)C3)c2c1.
What is the InChIKey of 7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is PFCDKWYZNVUPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-23-10-2-3-12-11(6-10)13(19-18-12)8-20-5-4-16(9-20)7-14(21)17-15(16)22/h2-3,6H,4-5,7-9H2,1H3,(H,18,19)(H,17,21,22).
What are the key properties of 7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 314.34 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 70718335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).