(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone

C22H23N3O2 — CID 171945781

IUPAC(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone
SMILESO=C(c1cnc2ccccn12)C1CC2COCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H23N3O2/c26-22(20-12-23-21-8-4-5-9-24(20)21)17-10-18-14-27-15-19(11-17)25(18)13-16-6-2-1-3-7-16/h1-9,12,17-19H,10-11,13-15H2
InChIKeyCVTBKAIBMCNEJY-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.20
Rot. Bonds4

About (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone

(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone (PubChem CID 171945781) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone
PubChem CID171945781
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone
SMILESO=C(c1cnc2ccccn12)C1CC2COCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H23N3O2/c26-22(20-12-23-21-8-4-5-9-24(20)21)17-10-18-14-27-15-19(11-17)25(18)13-16-6-2-1-3-7-16/h1-9,12,17-19H,10-11,13-15H2
InChIKeyCVTBKAIBMCNEJY-UHFFFAOYSA-N
XLogP3.20
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone?
The IUPAC name of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone (CID 171945781) is (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone.
What is the SMILES notation for (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone?
The canonical SMILES for (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone is O=C(c1cnc2ccccn12)C1CC2COCC(C1)N2Cc1ccccc1.
What is the InChIKey of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone?
The InChIKey is CVTBKAIBMCNEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(20-12-23-21-8-4-5-9-24(20)21)17-10-18-14-27-15-19(11-17)25(18)13-16-6-2-1-3-7-16/h1-9,12,17-19H,10-11,13-15H2.
What are the key properties of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone?
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone has a molecular weight of 361.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone is sourced from PubChem (CID 171945781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).