N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide

C19H26N4O2 — CID 67767241

IUPACN-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
SMILESCC(C)CN1[C@@H]2COC[C@H]1CC(NC(=O)c1n[nH]c3ccccc13)C2
InChIInChI=1S/C19H26N4O2/c1-12(2)9-23-14-7-13(8-15(23)11-25-10-14)20-19(24)18-16-5-3-4-6-17(16)21-22-18/h3-6,12-15H,7-11H2,1-2H3,(H,20,24)(H,21,22)/t13?,14-,15+
InChIKeyMFJLWPMUQFAVOM-GOOCMWNKSA-N
MW342.44 g/mol
LogP2.18
Rot. Bonds4

About N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide

N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide (PubChem CID 67767241) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
PubChem CID67767241
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
SMILESCC(C)CN1[C@@H]2COC[C@H]1CC(NC(=O)c1n[nH]c3ccccc13)C2
InChIInChI=1S/C19H26N4O2/c1-12(2)9-23-14-7-13(8-15(23)11-25-10-14)20-19(24)18-16-5-3-4-6-17(16)21-22-18/h3-6,12-15H,7-11H2,1-2H3,(H,20,24)(H,21,22)/t13?,14-,15+
InChIKeyMFJLWPMUQFAVOM-GOOCMWNKSA-N
XLogP2.18
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
CID 67846028
N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 52768718
N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 51110170
N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(oxan-3-yl)-1H-indazole-3-carboxamide
CID 63611564
N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-(2-methylpropyl)indazole-3-carboxamide
CID 67671600
N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide
CID 64982870
N-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
CID 67673217
N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
CID 75834351
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indazole-3-carboxamide
CID 30538306
N-(2-propylcyclopropyl)-1H-indazole-3-carboxamide
CID 113246079

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide (CID 67767241) is N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide is CC(C)CN1[C@@H]2COC[C@H]1CC(NC(=O)c1n[nH]c3ccccc13)C2.
What is the InChIKey of N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide?
The InChIKey is MFJLWPMUQFAVOM-GOOCMWNKSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)9-23-14-7-13(8-15(23)11-25-10-14)20-19(24)18-16-5-3-4-6-17(16)21-22-18/h3-6,12-15H,7-11H2,1-2H3,(H,20,24)(H,21,22)/t13?,14-,15+.
What are the key properties of N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide?
N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 67767241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).