1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one

C16H18FN3O2 — CID 123550050

IUPAC1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one
SMILESCc1c(-c2ccc(F)cc2)nc2n1CCN(C(=O)CCO)C2
InChIInChI=1S/C16H18FN3O2/c1-11-16(12-2-4-13(17)5-3-12)18-14-10-19(7-8-20(11)14)15(22)6-9-21/h2-5,21H,6-10H2,1H3
InChIKeyOEETVHLMURGEGA-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.72
Rot. Bonds3

About 1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one

1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one (PubChem CID 123550050) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one
PubChem CID123550050
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one
SMILESCc1c(-c2ccc(F)cc2)nc2n1CCN(C(=O)CCO)C2
InChIInChI=1S/C16H18FN3O2/c1-11-16(12-2-4-13(17)5-3-12)18-14-10-19(7-8-20(11)14)15(22)6-9-21/h2-5,21H,6-10H2,1H3
InChIKeyOEETVHLMURGEGA-UHFFFAOYSA-N
XLogP1.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazopyridine 18b
CID 5329352
2-amino-1-[3-(4-fluoroanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methyl-propan-1-one
CID 49856676
(R)-3-amino-4-(2,5-difluorophenyl)-1-(2-(4-fluorophenyl)-1-methyl-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)butan-1-one
CID 44443719
2-amino-1-[3-(cyclohexylamino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methyl-propan-1-one
CID 49856485
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one
CID 126527252
1-{2,3-Dimethyl-3H,4H,5H,6H,7H-imidazo[4,5-C]pyridin-5-YL}-2-(4-fluorophenyl)ethan-1-one
CID 71687161
(2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one
CID 164612665
1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one
CID 164618221
(2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one
CID 164626066
2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 164627484
3-[5-(1-ethylpiperidin-3-yl)-4-phenyl-1H-imidazol-1-yl]propan-1-ol
CID 50963958
N-({3-Ethyl-5-[2-(3-fluorophenyl)acetyl]-3H,4H,5H,6H,7H-imidazo[4,5-C]pyridin-2-YL}methyl)propanamide
CID 53191056

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one (CID 123550050) is 1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one is Cc1c(-c2ccc(F)cc2)nc2n1CCN(C(=O)CCO)C2.
What is the InChIKey of 1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one?
The InChIKey is OEETVHLMURGEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11-16(12-2-4-13(17)5-3-12)18-14-10-19(7-8-20(11)14)15(22)6-9-21/h2-5,21H,6-10H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one?
1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one has a molecular weight of 303.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 123550050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).