(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

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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).