7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride

C18H25ClN4O2 — CID 71749059

IUPAC7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride
SMILESCl.[2H]C([2H])([2H])n1nc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)c2cccc(O)c21
InChIInChI=1S/C18H24N4O2.ClH/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)16-14-7-4-8-15(23)17(14)22(2)20-16;/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24);1H/t11?,12-,13+;/i2D3;
InChIKeyMBSNWMLKHVHIJB-DVWGCCALSA-N
MW367.90 g/mol
LogP2.45
Rot. Bonds3

About 7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride

7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride (PubChem CID 71749059) has the molecular formula C18H25ClN4O2 and a molecular weight of 367.90 g/mol. Its IUPAC name is 7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride
PubChem CID71749059
Molecular FormulaC18H25ClN4O2
Molecular Weight367.90 g/mol
Exact Mass367.19
IUPAC Name7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride
SMILESCl.[2H]C([2H])([2H])n1nc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)c2cccc(O)c21
InChIInChI=1S/C18H24N4O2.ClH/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)16-14-7-4-8-15(23)17(14)22(2)20-16;/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24);1H/t11?,12-,13+;/i2D3;
InChIKeyMBSNWMLKHVHIJB-DVWGCCALSA-N
XLogP2.45
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride?
The IUPAC name of 7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride (CID 71749059) is 7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride?
The canonical SMILES for 7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride is Cl.[2H]C([2H])([2H])n1nc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)c2cccc(O)c21.
What is the InChIKey of 7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride?
The InChIKey is MBSNWMLKHVHIJB-DVWGCCALSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)16-14-7-4-8-15(23)17(14)22(2)20-16;/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24);1H/t11?,12-,13+;/i2D3;.
What are the key properties of 7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride?
7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 71749059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).