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

C21H22N4O2 — CID 171945531

IUPAC(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
SMILESO=C(c1cnc2ncccn12)C1CC2COCC(C1)N2Cc1ccccc1
InChIInChI=1S/C21H22N4O2/c26-20(19-11-23-21-22-7-4-8-24(19)21)16-9-17-13-27-14-18(10-16)25(17)12-15-5-2-1-3-6-15/h1-8,11,16-18H,9-10,12-14H2
InChIKeyVOCDOPZIXGYUPJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.59
Rot. Bonds4

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

(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone (PubChem CID 171945531) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
PubChem CID171945531
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
SMILESO=C(c1cnc2ncccn12)C1CC2COCC(C1)N2Cc1ccccc1
InChIInChI=1S/C21H22N4O2/c26-20(19-11-23-21-22-7-4-8-24(19)21)16-9-17-13-27-14-18(10-16)25(17)12-15-5-2-1-3-6-15/h1-8,11,16-18H,9-10,12-14H2
InChIKeyVOCDOPZIXGYUPJ-UHFFFAOYSA-N
XLogP2.59
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-methyl-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 16190225
1-(5-ethyl-2-pyridinyl)-N-methyl-N-{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}methanamine
CID 42097100
8-Methyl-2-(morpholin-4-ylcarbonyl)-3-[(3-phenylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 16191398
1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-imidazo[1,2-a]pyrimidin-3-ylethane-1,2-dione
CID 155557077
1-Imidazo[1,2-a]pyrimidin-3-yl-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 177381589
Morpholin-4-yl-(8-phenylimidazo[1,2-a]pyrazin-2-yl)methanone
CID 53188877
3-{[2-(3-Fluorobenzyl)-4-morpholinyl]carbonyl}-2-methylimidazo[1,2-a]pyrimidine
CID 45234681
N-[(1R,5S)-9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 67845888
N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 67845890
10-Fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one
CID 123254237
(3S)-10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one
CID 124161858
(3R)-10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one
CID 124161872

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]pyrimidin-3-ylmethanone?
The IUPAC name of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone (CID 171945531) is (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone?
The canonical SMILES for (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone is O=C(c1cnc2ncccn12)C1CC2COCC(C1)N2Cc1ccccc1.
What is the InChIKey of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone?
The InChIKey is VOCDOPZIXGYUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20(19-11-23-21-22-7-4-8-24(19)21)16-9-17-13-27-14-18(10-16)25(17)12-15-5-2-1-3-6-15/h1-8,11,16-18H,9-10,12-14H2.
What are the key properties of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone?
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone has a molecular weight of 362.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]pyrimidin-3-ylmethanone is sourced from PubChem (CID 171945531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).