3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate

C22H23N3O4 — CID 118436240

IUPAC3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate
SMILESCn1ccc(-n2cc(C(=O)OC3CC4COCC(C3)N4)c3ccccc32)cc1=O
InChIInChI=1S/C22H23N3O4/c1-24-7-6-16(10-21(24)26)25-11-19(18-4-2-3-5-20(18)25)22(27)29-17-8-14-12-28-13-15(9-17)23-14/h2-7,10-11,14-15,17,23H,8-9,12-13H2,1H3
InChIKeyFPVVVYQZGCGRIZ-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.01
Rot. Bonds3

About 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate

3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate (PubChem CID 118436240) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate.

Molecular Properties

Compound Name3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate
PubChem CID118436240
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate
SMILESCn1ccc(-n2cc(C(=O)OC3CC4COCC(C3)N4)c3ccccc32)cc1=O
InChIInChI=1S/C22H23N3O4/c1-24-7-6-16(10-21(24)26)25-11-19(18-4-2-3-5-20(18)25)22(27)29-17-8-14-12-28-13-15(9-17)23-14/h2-7,10-11,14-15,17,23H,8-9,12-13H2,1H3
InChIKeyFPVVVYQZGCGRIZ-UHFFFAOYSA-N
XLogP2.01
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tropisetron
CID 656665
Anzemet
CID 3148
Dolasetronum
CID 14476155
(3R)-10-oxo-8-azatricyclo[5.3.1.03,8]undec-5-yl 1H-indole-3-carboxylate
CID 60654
[(3S,7S)-10-Oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate
CID 11503972
Tropisetron hydrochloride
CID 656664
(1-(2-((Methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl 1-methyl-1H-indole-3-carboxylate
CID 119376
Methyl indole-3-carboxylate
CID 589098
Dolasetron
CID 3033818
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylic acid ester monohydrochloride
CID 9818540
Dolasetron mesylate
CID 3033817
SB 203186
CID 3272300

Frequently Asked Questions

What is the IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate?
The IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate (CID 118436240) is 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate.
What is the SMILES notation for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate?
The canonical SMILES for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate is Cn1ccc(-n2cc(C(=O)OC3CC4COCC(C3)N4)c3ccccc32)cc1=O.
What is the InChIKey of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate?
The InChIKey is FPVVVYQZGCGRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-24-7-6-16(10-21(24)26)25-11-19(18-4-2-3-5-20(18)25)22(27)29-17-8-14-12-28-13-15(9-17)23-14/h2-7,10-11,14-15,17,23H,8-9,12-13H2,1H3.
What are the key properties of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate?
3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methyl-2-oxo-4-pyridinyl)indole-3-carboxylate is sourced from PubChem (CID 118436240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).