1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone

C17H21N3O — CID 136525720

IUPAC1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone
SMILESO=C(c1cc2ccccn2c1)N1CCN2CCCCC2C1
InChIInChI=1S/C17H21N3O/c21-17(14-11-15-5-1-4-8-19(15)12-14)20-10-9-18-7-3-2-6-16(18)13-20/h1,4-5,8,11-12,16H,2-3,6-7,9-10,13H2
InChIKeyVVVYCUZAJXGQHN-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.25
Rot. Bonds1

About 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone

1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone (PubChem CID 136525720) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone.

Molecular Properties

Compound Name1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone
PubChem CID136525720
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone
SMILESO=C(c1cc2ccccn2c1)N1CCN2CCCCC2C1
InChIInChI=1S/C17H21N3O/c21-17(14-11-15-5-1-4-8-19(15)12-14)20-10-9-18-7-3-2-6-16(18)13-20/h1,4-5,8,11-12,16H,2-3,6-7,9-10,13H2
InChIKeyVVVYCUZAJXGQHN-UHFFFAOYSA-N
XLogP2.25
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(3,5-dibromophenyl)methanone
CID 103908312
indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124594675
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 103764742
(3-fluorophenyl)-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95333696
[4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 60947643
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998528
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminophenyl)methanone;dihydrochloride
CID 119881540
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(3H-benzimidazol-5-yl)methanone
CID 60960326
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110441029
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(5-methylfuran-3-yl)methanone
CID 127981809
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 95590134
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methanone
CID 79915673

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone?
The IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone (CID 136525720) is 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone.
What is the SMILES notation for 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone?
The canonical SMILES for 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone is O=C(c1cc2ccccn2c1)N1CCN2CCCCC2C1.
What is the InChIKey of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone?
The InChIKey is VVVYCUZAJXGQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(14-11-15-5-1-4-8-19(15)12-14)20-10-9-18-7-3-2-6-16(18)13-20/h1,4-5,8,11-12,16H,2-3,6-7,9-10,13H2.
What are the key properties of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone?
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone has a molecular weight of 283.37 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone is sourced from PubChem (CID 136525720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).