2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone

C19H16FN5O — CID 147020979

IUPAC2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone
SMILESNc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1Cc2nccnc2C1
InChIInChI=1S/C19H16FN5O/c20-13-3-1-12(2-4-13)15-6-5-14(21)16(24-15)9-19(26)25-10-17-18(11-25)23-8-7-22-17/h1-8H,9-11,21H2
InChIKeyAVRVNNGAFCUHIV-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.34
Rot. Bonds3

About 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone (PubChem CID 147020979) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone.

Molecular Properties

Compound Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone
PubChem CID147020979
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone
SMILESNc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1Cc2nccnc2C1
InChIInChI=1S/C19H16FN5O/c20-13-3-1-12(2-4-13)15-6-5-14(21)16(24-15)9-19(26)25-10-17-18(11-25)23-8-7-22-17/h1-8H,9-11,21H2
InChIKeyAVRVNNGAFCUHIV-UHFFFAOYSA-N
XLogP2.34
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 162036810
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3-fluoro-3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone
CID 158019572
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 160529791
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone
CID 162163426
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 161108014
2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 163822504
2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
CID 147399624
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869699
2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
CID 158752571
2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-[3-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 158991235
1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane
CID 161306224
2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-[1-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone
CID 161479984

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone?
The IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone (CID 147020979) is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone.
What is the SMILES notation for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone?
The canonical SMILES for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone is Nc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1Cc2nccnc2C1.
What is the InChIKey of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone?
The InChIKey is AVRVNNGAFCUHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c20-13-3-1-12(2-4-13)15-6-5-14(21)16(24-15)9-19(26)25-10-17-18(11-25)23-8-7-22-17/h1-8H,9-11,21H2.
What are the key properties of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone?
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone has a molecular weight of 349.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone is sourced from PubChem (CID 147020979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).