1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone

C24H25FN4O4 — CID 147092540

IUPAC1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone
SMILESC[C@H]1O[C@@H](c2ccncc2CC(=O)c2nc(-c3ccccc3)cnc2N)[C@H](F)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C24H25FN4O4/c1-13-24(2,32)22(31)19(25)21(33-13)16-8-9-27-11-15(16)10-18(30)20-23(26)28-12-17(29-20)14-6-4-3-5-7-14/h3-9,11-13,19,21-22,31-32H,10H2,1-2H3,(H2,26,28)/t13-,19+,21+,22-,24-/m1/s1
InChIKeyBJCDMIGPUCJVPT-RQQVCFSVSA-N
MW452.49 g/mol
LogP2.46
Rot. Bonds5

About 1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone

1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone (PubChem CID 147092540) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone
PubChem CID147092540
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone
SMILESC[C@H]1O[C@@H](c2ccncc2CC(=O)c2nc(-c3ccccc3)cnc2N)[C@H](F)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C24H25FN4O4/c1-13-24(2,32)22(31)19(25)21(33-13)16-8-9-27-11-15(16)10-18(30)20-23(26)28-12-17(29-20)14-6-4-3-5-7-14/h3-9,11-13,19,21-22,31-32H,10H2,1-2H3,(H2,26,28)/t13-,19+,21+,22-,24-/m1/s1
InChIKeyBJCDMIGPUCJVPT-RQQVCFSVSA-N
XLogP2.46
TPSA131.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone with MolForge

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Related Compounds

2-[4-[(2S,4S,5R)-4-amino-6-cyclopropyl-5-hydroxy-5-methyloxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 158645013
2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 160847726
2-[4-[(2R,4R,4aS,7aR)-4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 158127254
1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167691905
1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]ethanone
CID 160852286
1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 58840776
(2S)-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-2-(methylamino)propanoic acid
CID 167698926
benzyl N-[2-[4-[5-amino-6-[2-[4-(3-methylazetidin-1-yl)-3-pyridinyl]acetyl]pyrazin-2-yl]phenyl]ethyl]carbamate
CID 167639210
2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone
CID 147607647
1-[3-amino-6-(3,5,6-trifluoro-2-pyridinyl)-2-pyridinyl]-2-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]ethanone
CID 161289882
1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]ethanone
CID 158498912
1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(triazol-1-yl)-3-pyridinyl]ethanone
CID 167645795

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone (CID 147092540) is 1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone is C[C@H]1O[C@@H](c2ccncc2CC(=O)c2nc(-c3ccccc3)cnc2N)[C@H](F)[C@@H](O)[C@]1(C)O.
What is the InChIKey of 1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone?
The InChIKey is BJCDMIGPUCJVPT-RQQVCFSVSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-13-24(2,32)22(31)19(25)21(33-13)16-8-9-27-11-15(16)10-18(30)20-23(26)28-12-17(29-20)14-6-4-3-5-7-14/h3-9,11-13,19,21-22,31-32H,10H2,1-2H3,(H2,26,28)/t13-,19+,21+,22-,24-/m1/s1.
What are the key properties of 1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone?
1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone has a molecular weight of 452.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 147092540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).