1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one

C21H22N4O — CID 110117668

IUPAC1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one
SMILESCc1cnc2n1CC(c1ccccc1)N(C(=O)CCc1cccnc1)C2
InChIInChI=1S/C21H22N4O/c1-16-12-23-20-15-25(21(26)10-9-17-6-5-11-22-13-17)19(14-24(16)20)18-7-3-2-4-8-18/h2-8,11-13,19H,9-10,14-15H2,1H3
InChIKeyOWQWWOYNCYTCRF-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.30
Rot. Bonds4

About 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one

1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 110117668) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one
PubChem CID110117668
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one
SMILESCc1cnc2n1CC(c1ccccc1)N(C(=O)CCc1cccnc1)C2
InChIInChI=1S/C21H22N4O/c1-16-12-23-20-15-25(21(26)10-9-17-6-5-11-22-13-17)19(14-24(16)20)18-7-3-2-4-8-18/h2-8,11-13,19H,9-10,14-15H2,1H3
InChIKeyOWQWWOYNCYTCRF-UHFFFAOYSA-N
XLogP3.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanone
CID 110117544
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 124965111
[(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone
CID 124959844
(4-methyl-1,3-oxazol-5-yl)-[(6R)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 124953412
3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 110117585
3-(4-fluorophenyl)-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 124989150
1-[(3S)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 97027113
3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
CID 56907792
4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 43356906
1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 81478715
3-methyl-6-phenyl-7-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 110117576
1-[2-(4-fluorophenyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70715895

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one (CID 110117668) is 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one is Cc1cnc2n1CC(c1ccccc1)N(C(=O)CCc1cccnc1)C2.
What is the InChIKey of 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is OWQWWOYNCYTCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-12-23-20-15-25(21(26)10-9-17-6-5-11-22-13-17)19(14-24(16)20)18-7-3-2-4-8-18/h2-8,11-13,19H,9-10,14-15H2,1H3.
What are the key properties of 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one?
1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 346.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 110117668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).