[6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone

C22H19FN8O — CID 166632315

IUPAC[6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ncc(F)c(-c3ccc4nccnc4c3)n2)nc1)N1CCNCC1
InChIInChI=1S/C22H19FN8O/c23-16-13-28-22(30-20(16)14-1-3-17-18(11-14)26-6-5-25-17)29-19-4-2-15(12-27-19)21(32)31-9-7-24-8-10-31/h1-6,11-13,24H,7-10H2,(H,27,28,29,30)
InChIKeyVOWPPENXFJCQKK-UHFFFAOYSA-N
MW430.45 g/mol
LogP2.41
Rot. Bonds4

About [6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone

[6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 166632315) has the molecular formula C22H19FN8O and a molecular weight of 430.45 g/mol. Its IUPAC name is [6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone
PubChem CID166632315
Molecular FormulaC22H19FN8O
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC Name[6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ncc(F)c(-c3ccc4nccnc4c3)n2)nc1)N1CCNCC1
InChIInChI=1S/C22H19FN8O/c23-16-13-28-22(30-20(16)14-1-3-17-18(11-14)26-6-5-25-17)29-19-4-2-15(12-27-19)21(32)31-9-7-24-8-10-31/h1-6,11-13,24H,7-10H2,(H,27,28,29,30)
InChIKeyVOWPPENXFJCQKK-UHFFFAOYSA-N
XLogP2.41
TPSA108.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone (CID 166632315) is [6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone is O=C(c1ccc(Nc2ncc(F)c(-c3ccc4nccnc4c3)n2)nc1)N1CCNCC1.
What is the InChIKey of [6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is VOWPPENXFJCQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O/c23-16-13-28-22(30-20(16)14-1-3-17-18(11-14)26-6-5-25-17)29-19-4-2-15(12-27-19)21(32)31-9-7-24-8-10-31/h1-6,11-13,24H,7-10H2,(H,27,28,29,30).
What are the key properties of [6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone?
[6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 430.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-fluoro-4-quinoxalin-6-ylpyrimidin-2-yl)amino]-3-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 166632315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).