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

C18H24N4O2 — CID 46233591

IUPAC5-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
SMILESCN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3ccc(O)cc13)C2
InChIInChI=1S/C18H24N4O2/c1-21-12-4-3-5-13(21)9-11(8-12)19-18(24)17-15-10-14(23)6-7-16(15)22(2)20-17/h6-7,10-13,23H,3-5,8-9H2,1-2H3,(H,19,24)/t12-,13-/m0/s1
InChIKeyFKNBNSUXUZHSKP-STQMWFEESA-N
MW328.42 g/mol
LogP2.02
Rot. Bonds2

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

5-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide (PubChem CID 46233591) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
PubChem CID46233591
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
SMILESCN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3ccc(O)cc13)C2
InChIInChI=1S/C18H24N4O2/c1-21-12-4-3-5-13(21)9-11(8-12)19-18(24)17-15-10-14(23)6-7-16(15)22(2)20-17/h6-7,10-13,23H,3-5,8-9H2,1-2H3,(H,19,24)/t12-,13-/m0/s1
InChIKeyFKNBNSUXUZHSKP-STQMWFEESA-N
XLogP2.02
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide?
The IUPAC name of 5-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide (CID 46233591) is 5-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide.
What is the SMILES notation for 5-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide?
The canonical SMILES for 5-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide is CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3ccc(O)cc13)C2.
What is the InChIKey of 5-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide?
The InChIKey is FKNBNSUXUZHSKP-STQMWFEESA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-12-4-3-5-13(21)9-11(8-12)19-18(24)17-15-10-14(23)6-7-16(15)22(2)20-17/h6-7,10-13,23H,3-5,8-9H2,1-2H3,(H,19,24)/t12-,13-/m0/s1.
What are the key properties of 5-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide?
5-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide is sourced from PubChem (CID 46233591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).