1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone

C16H14F3N3O2 — CID 154842855

IUPAC1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(C(O)c1cccc(C(F)(F)F)c1)N1CCc2nccnc2C1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)11-3-1-2-10(8-11)14(23)15(24)22-7-4-12-13(9-22)21-6-5-20-12/h1-3,5-6,8,14,23H,4,7,9H2
InChIKeyIDGWPQUUBQJRSC-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.11
Rot. Bonds2

About 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone

1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 154842855) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID154842855
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(C(O)c1cccc(C(F)(F)F)c1)N1CCc2nccnc2C1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)11-3-1-2-10(8-11)14(23)15(24)22-7-4-12-13(9-22)21-6-5-20-12/h1-3,5-6,8,14,23H,4,7,9H2
InChIKeyIDGWPQUUBQJRSC-UHFFFAOYSA-N
XLogP2.11
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone with MolForge

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Related Compounds

6-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetyl]-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 175864907
1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
CID 154835572
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
CID 154835833
2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 154845337
6-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetyl]-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 157027715
1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
CID 138045939
6-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetyl]-2-[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 166815746
1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 154840919
6-[2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027916
6-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetyl]-2-[1-(5-phenyl-3-pyridinyl)cyclopropyl]-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 157027404
2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 136565944
2-[1-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]cyclopropyl]-6-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetyl]-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 157027585

Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone (CID 154842855) is 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone is O=C(C(O)c1cccc(C(F)(F)F)c1)N1CCc2nccnc2C1.
What is the InChIKey of 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is IDGWPQUUBQJRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)11-3-1-2-10(8-11)14(23)15(24)22-7-4-12-13(9-22)21-6-5-20-12/h1-3,5-6,8,14,23H,4,7,9H2.
What are the key properties of 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone?
1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 337.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 154842855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).