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

C18H25ClN4O — CID 73265366

IUPAC1-methyl-N-[(1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
SMILESCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17;/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);1H/t13-,14-;/m1./s1
InChIKeyQYZRTBKYBJRGJB-DTPOWOMPSA-N
MW348.88 g/mol
LogP2.74
Rot. Bonds2

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

1-methyl-N-[(1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride (PubChem CID 73265366) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 1-methyl-N-[(1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-[(1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
PubChem CID73265366
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name1-methyl-N-[(1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
SMILESCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17;/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);1H/t13-,14-;/m1./s1
InChIKeyQYZRTBKYBJRGJB-DTPOWOMPSA-N
XLogP2.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-methyl-N-[(1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride (CID 73265366) is 1-methyl-N-[(1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-N-[(1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-methyl-N-[(1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride is CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cl.
What is the InChIKey of 1-methyl-N-[(1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride?
The InChIKey is QYZRTBKYBJRGJB-DTPOWOMPSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17;/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);1H/t13-,14-;/m1./s1.
What are the key properties of 1-methyl-N-[(1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride?
1-methyl-N-[(1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 73265366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).