1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide

C19H23F2N3O2 — CID 118436697

IUPAC1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide
SMILESCN1[C@@H]2COC[C@H]1CC(NC(=O)c1cn(CC(F)F)c3ccccc13)C2
InChIInChI=1S/C19H23F2N3O2/c1-23-13-6-12(7-14(23)11-26-10-13)22-19(25)16-8-24(9-18(20)21)17-5-3-2-4-15(16)17/h2-5,8,12-14,18H,6-7,9-11H2,1H3,(H,22,25)/t12?,13-,14+
InChIKeyUMOLYDQIXXNCLK-AGUYFDCRSA-N
MW363.41 g/mol
LogP2.50
Rot. Bonds4

About 1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide

1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide (PubChem CID 118436697) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide
PubChem CID118436697
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide
SMILESCN1[C@@H]2COC[C@H]1CC(NC(=O)c1cn(CC(F)F)c3ccccc13)C2
InChIInChI=1S/C19H23F2N3O2/c1-23-13-6-12(7-14(23)11-26-10-13)22-19(25)16-8-24(9-18(20)21)17-5-3-2-4-15(16)17/h2-5,8,12-14,18H,6-7,9-11H2,1H3,(H,22,25)/t12?,13-,14+
InChIKeyUMOLYDQIXXNCLK-AGUYFDCRSA-N
XLogP2.50
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide with MolForge

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Related Compounds

1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide
CID 126842496
[(1R,5S)-9-(trideuteriomethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl] 1-(2,2-difluoroethyl)indole-3-carboxylate
CID 118436704
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide
CID 56568890
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 10426426
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126842479
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-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 10714015
N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-(2-methylpropyl)indazole-3-carboxamide
CID 67671600
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-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide
CID 15232962

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide (CID 118436697) is 1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide is CN1[C@@H]2COC[C@H]1CC(NC(=O)c1cn(CC(F)F)c3ccccc13)C2.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide?
The InChIKey is UMOLYDQIXXNCLK-AGUYFDCRSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-23-13-6-12(7-14(23)11-26-10-13)22-19(25)16-8-24(9-18(20)21)17-5-3-2-4-15(16)17/h2-5,8,12-14,18H,6-7,9-11H2,1H3,(H,22,25)/t12?,13-,14+.
What are the key properties of 1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide?
1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide is sourced from PubChem (CID 118436697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).