(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone

C17H21N3O2 — CID 128534632

IUPAC(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone
SMILESCc1cc(C(=O)N2CCC(O)C23CCCC3)c2[nH]ncc2c1
InChIInChI=1S/C17H21N3O2/c1-11-8-12-10-18-19-15(12)13(9-11)16(22)20-7-4-14(21)17(20)5-2-3-6-17/h8-10,14,21H,2-7H2,1H3,(H,18,19)
InChIKeyJRIQSHHZHHCTJM-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.39
Rot. Bonds1

About (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone

(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone (PubChem CID 128534632) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone
PubChem CID128534632
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone
SMILESCc1cc(C(=O)N2CCC(O)C23CCCC3)c2[nH]ncc2c1
InChIInChI=1S/C17H21N3O2/c1-11-8-12-10-18-19-15(12)13(9-11)16(22)20-7-4-14(21)17(20)5-2-3-6-17/h8-10,14,21H,2-7H2,1H3,(H,18,19)
InChIKeyJRIQSHHZHHCTJM-UHFFFAOYSA-N
XLogP2.39
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone 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

(5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone
CID 166182991
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 97069676
(3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
CID 119173997
(2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone
CID 128716620
5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
CID 122118408
5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide
CID 166364361
cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678335
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide
CID 120945040
5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide
CID 127446371
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 120739788
[2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 166249087
[3-[(6-ethylpyrimidin-4-yl)amino]azetidin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 167967823

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone?
The IUPAC name of (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone (CID 128534632) is (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone.
What is the SMILES notation for (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone?
The canonical SMILES for (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone is Cc1cc(C(=O)N2CCC(O)C23CCCC3)c2[nH]ncc2c1.
What is the InChIKey of (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone?
The InChIKey is JRIQSHHZHHCTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-8-12-10-18-19-15(12)13(9-11)16(22)20-7-4-14(21)17(20)5-2-3-6-17/h8-10,14,21H,2-7H2,1H3,(H,18,19).
What are the key properties of (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone?
(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone is sourced from PubChem (CID 128534632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).