7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde

C17H21N3O — CID 169002472

IUPAC7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde
SMILESCn1ncc2cc(C3CCC4(CC3)CN(C=O)C4)ccc21
InChIInChI=1S/C17H21N3O/c1-19-16-3-2-14(8-15(16)9-18-19)13-4-6-17(7-5-13)10-20(11-17)12-21/h2-3,8-9,12-13H,4-7,10-11H2,1H3
InChIKeyFBCHPWIAMRWDJV-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.69
Rot. Bonds2

About 7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde

7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde (PubChem CID 169002472) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde.

Molecular Properties

Compound Name7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde
PubChem CID169002472
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde
SMILESCn1ncc2cc(C3CCC4(CC3)CN(C=O)C4)ccc21
InChIInChI=1S/C17H21N3O/c1-19-16-3-2-14(8-15(16)9-18-19)13-4-6-17(7-5-13)10-20(11-17)12-21/h2-3,8-9,12-13H,4-7,10-11H2,1H3
InChIKeyFBCHPWIAMRWDJV-UHFFFAOYSA-N
XLogP2.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-(4-propan-2-ylcyclohexyl)indazole
CID 140629080
7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde
CID 168874889
1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole
CID 177327977
(1S)-1-(3-fluoro-2-methylphenyl)-3-(1-methylindazol-5-yl)cyclopentane-1-carboxylic acid
CID 118882068
1-bromo-5-cyclopropylindazole
CID 135156225
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide
CID 118870476
1-methyl-N-(2-methylcyclohexyl)indazol-5-amine
CID 59514198
5-cyclopropyloxy-1-methylindazole
CID 130057460
1-methyl-N-(4-methylcyclohexyl)indazol-5-amine
CID 59514269
1,5-dimethylindazole;ethane
CID 90788862
5-(5-cyclopropylindazol-1-yl)-1,2-thiazol-3-one
CID 145258604
7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde
CID 169002481

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde?
The IUPAC name of 7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde (CID 169002472) is 7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde.
What is the SMILES notation for 7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde?
The canonical SMILES for 7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde is Cn1ncc2cc(C3CCC4(CC3)CN(C=O)C4)ccc21.
What is the InChIKey of 7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde?
The InChIKey is FBCHPWIAMRWDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19-16-3-2-14(8-15(16)9-18-19)13-4-6-17(7-5-13)10-20(11-17)12-21/h2-3,8-9,12-13H,4-7,10-11H2,1H3.
What are the key properties of 7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde?
7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde has a molecular weight of 283.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde is sourced from PubChem (CID 169002472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).