2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile

C24H22N6O — CID 71216681

IUPAC2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccc(-c2cc(C3CCCC4CN(c5ncccc5C#N)CCN43)no2)c1
InChIInChI=1S/C24H22N6O/c25-14-17-4-1-5-18(12-17)23-13-21(28-31-23)22-8-2-7-20-16-29(10-11-30(20)22)24-19(15-26)6-3-9-27-24/h1,3-6,9,12-13,20,22H,2,7-8,10-11,16H2
InChIKeyVGDKEVZSWRYBCS-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.90
Rot. Bonds3

About 2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile

2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile (PubChem CID 71216681) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile
PubChem CID71216681
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccc(-c2cc(C3CCCC4CN(c5ncccc5C#N)CCN43)no2)c1
InChIInChI=1S/C24H22N6O/c25-14-17-4-1-5-18(12-17)23-13-21(28-31-23)22-8-2-7-20-16-29(10-11-30(20)22)24-19(15-26)6-3-9-27-24/h1,3-6,9,12-13,20,22H,2,7-8,10-11,16H2
InChIKeyVGDKEVZSWRYBCS-UHFFFAOYSA-N
XLogP3.90
TPSA92.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

(2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid
CID 141188442
methyl 2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-N-methylpyrrolidine-1-carboximidothioate
CID 24775720
6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile
CID 69177978
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334
2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 47079116
2-[(6R,8aS)-6-[2-(3-fluorophenyl)tetrazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile
CID 58812325
3-[3-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]-1,2-oxazol-5-yl]benzonitrile
CID 69120143
3-[(6R,8aS)-2-(3-isocyanopyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-5-(2-chlorophenyl)-1,2-oxazole
CID 58812259
2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 129482332
2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile
CID 166225727
2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 66195251
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile (CID 71216681) is 2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile is N#Cc1cccc(-c2cc(C3CCCC4CN(c5ncccc5C#N)CCN43)no2)c1.
What is the InChIKey of 2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile?
The InChIKey is VGDKEVZSWRYBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c25-14-17-4-1-5-18(12-17)23-13-21(28-31-23)22-8-2-7-20-16-29(10-11-30(20)22)24-19(15-26)6-3-9-27-24/h1,3-6,9,12-13,20,22H,2,7-8,10-11,16H2.
What are the key properties of 2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile?
2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile has a molecular weight of 410.48 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 71216681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).