N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride

C17H21ClN4O2 — CID 131699046

IUPACN-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C(=O)NC2CC3CC4CC(C2)N34)c2cccc(O)c21
InChIInChI=1S/C17H20N4O2.ClH/c1-20-16-13(3-2-4-14(16)22)15(19-20)17(23)18-9-5-10-7-12-8-11(6-9)21(10)12;/h2-4,9-12,22H,5-8H2,1H3,(H,18,23);1H
InChIKeyGTQDURUGPQQFHV-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.81
Rot. Bonds2

About N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride

N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride (PubChem CID 131699046) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride
PubChem CID131699046
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C(=O)NC2CC3CC4CC(C2)N34)c2cccc(O)c21
InChIInChI=1S/C17H20N4O2.ClH/c1-20-16-13(3-2-4-14(16)22)15(19-20)17(23)18-9-5-10-7-12-8-11(6-9)21(10)12;/h2-4,9-12,22H,5-8H2,1H3,(H,18,23);1H
InChIKeyGTQDURUGPQQFHV-UHFFFAOYSA-N
XLogP1.81
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride (CID 131699046) is N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride is Cl.Cn1nc(C(=O)NC2CC3CC4CC(C2)N34)c2cccc(O)c21.
What is the InChIKey of N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride?
The InChIKey is GTQDURUGPQQFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2.ClH/c1-20-16-13(3-2-4-14(16)22)15(19-20)17(23)18-9-5-10-7-12-8-11(6-9)21(10)12;/h2-4,9-12,22H,5-8H2,1H3,(H,18,23);1H.
What are the key properties of N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride?
N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 131699046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).