6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine

C17H17F2N5O — CID 129006918

IUPAC6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine
SMILESCn1cc([C@H]2OCCC[C@@H]2Nc2cnc3cc(F)c(F)cc3n2)cn1
InChIInChI=1S/C17H17F2N5O/c1-24-9-10(7-21-24)17-13(3-2-4-25-17)22-16-8-20-14-5-11(18)12(19)6-15(14)23-16/h5-9,13,17H,2-4H2,1H3,(H,22,23)/t13-,17+/m0/s1
InChIKeyLOUXTHLMRQWPHW-SUMWQHHRSA-N
MW345.35 g/mol
LogP2.97
Rot. Bonds3

About 6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine

6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine (PubChem CID 129006918) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is 6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine.

Molecular Properties

Compound Name6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine
PubChem CID129006918
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Name6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine
SMILESCn1cc([C@H]2OCCC[C@@H]2Nc2cnc3cc(F)c(F)cc3n2)cn1
InChIInChI=1S/C17H17F2N5O/c1-24-9-10(7-21-24)17-13(3-2-4-25-17)22-16-8-20-14-5-11(18)12(19)6-15(14)23-16/h5-9,13,17H,2-4H2,1H3,(H,22,23)/t13-,17+/m0/s1
InChIKeyLOUXTHLMRQWPHW-SUMWQHHRSA-N
XLogP2.97
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine?
The IUPAC name of 6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine (CID 129006918) is 6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine.
What is the SMILES notation for 6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine?
The canonical SMILES for 6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine is Cn1cc([C@H]2OCCC[C@@H]2Nc2cnc3cc(F)c(F)cc3n2)cn1.
What is the InChIKey of 6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine?
The InChIKey is LOUXTHLMRQWPHW-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H17F2N5O/c1-24-9-10(7-21-24)17-13(3-2-4-25-17)22-16-8-20-14-5-11(18)12(19)6-15(14)23-16/h5-9,13,17H,2-4H2,1H3,(H,22,23)/t13-,17+/m0/s1.
What are the key properties of 6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine?
6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine has a molecular weight of 345.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine is sourced from PubChem (CID 129006918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).