1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone

C24H28F2N8O — CID 166121165

IUPAC1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(C)C)c2cc(-c3nc(Nc4cc5n(n4)CCN(C)C5)ncc3F)cc(F)c21
InChIInChI=1S/C24H28F2N8O/c1-14(2)32-6-7-33(15(3)35)23-18(25)9-16(10-20(23)32)22-19(26)12-27-24(29-22)28-21-11-17-13-31(4)5-8-34(17)30-21/h9-12,14H,5-8,13H2,1-4H3,(H,27,28,29,30)
InChIKeyZSJRZBUXRBDLEK-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.39
Rot. Bonds4

About 1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone

1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 166121165) has the molecular formula C24H28F2N8O and a molecular weight of 482.54 g/mol. Its IUPAC name is 1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID166121165
Molecular FormulaC24H28F2N8O
Molecular Weight482.54 g/mol
Exact Mass482.24
IUPAC Name1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(C)C)c2cc(-c3nc(Nc4cc5n(n4)CCN(C)C5)ncc3F)cc(F)c21
InChIInChI=1S/C24H28F2N8O/c1-14(2)32-6-7-33(15(3)35)23-18(25)9-16(10-20(23)32)22-19(26)12-27-24(29-22)28-21-11-17-13-31(4)5-8-34(17)30-21/h9-12,14H,5-8,13H2,1-4H3,(H,27,28,29,30)
InChIKeyZSJRZBUXRBDLEK-UHFFFAOYSA-N
XLogP3.39
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone (CID 166121165) is 1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1CCN(C(C)C)c2cc(-c3nc(Nc4cc5n(n4)CCN(C)C5)ncc3F)cc(F)c21.
What is the InChIKey of 1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is ZSJRZBUXRBDLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N8O/c1-14(2)32-6-7-33(15(3)35)23-18(25)9-16(10-20(23)32)22-19(26)12-27-24(29-22)28-21-11-17-13-31(4)5-8-34(17)30-21/h9-12,14H,5-8,13H2,1-4H3,(H,27,28,29,30).
What are the key properties of 1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 482.54 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 166121165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).