1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide

C21H25N5O2 — CID 126842496

IUPAC1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1cn(-c3cncn3C)c3ccccc13)C2
InChIInChI=1S/C21H25N5O2/c1-24-13-22-9-20(24)26-10-18(17-5-3-4-6-19(17)26)21(27)23-14-7-15-11-28-12-16(8-14)25(15)2/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3,(H,23,27)
InChIKeyGZFJYZRDHWBNBB-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.96
Rot. Bonds3

About 1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide

1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide (PubChem CID 126842496) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide
PubChem CID126842496
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1cn(-c3cncn3C)c3ccccc13)C2
InChIInChI=1S/C21H25N5O2/c1-24-13-22-9-20(24)26-10-18(17-5-3-4-6-19(17)26)21(27)23-14-7-15-11-28-12-16(8-14)25(15)2/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3,(H,23,27)
InChIKeyGZFJYZRDHWBNBB-UHFFFAOYSA-N
XLogP1.96
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide
CID 118436697
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 134814155
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
N-methyl-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-(1,2-thiazol-4-yl)indole-3-carboxamide
CID 118436745
5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126842500
N-[(3S,7S,8aS)-3-(2-hydroxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylindole-3-carboxamide
CID 154817178
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride
CID 70108169
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide
CID 70107495
1-[(2S)-butan-2-yl]-N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
CID 67673528
N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-(2-methylpropyl)indazole-3-carboxamide
CID 67671600
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride
CID 70107632

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide?
The IUPAC name of 1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide (CID 126842496) is 1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide?
The canonical SMILES for 1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide is CN1C2COCC1CC(NC(=O)c1cn(-c3cncn3C)c3ccccc13)C2.
What is the InChIKey of 1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide?
The InChIKey is GZFJYZRDHWBNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-24-13-22-9-20(24)26-10-18(17-5-3-4-6-19(17)26)21(27)23-14-7-15-11-28-12-16(8-14)25(15)2/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3,(H,23,27).
What are the key properties of 1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide?
1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide is sourced from PubChem (CID 126842496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).