6,7-difluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine

C17H17F2N5O — CID 129000376

About 6,7-difluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine

6,7-difluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine (PubChem CID 129000376) 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-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine.

Molecular Properties

• Compound Name: 6,7-difluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine
• PubChem CID: 129000376
• Molecular Formula: C17H17F2N5O
• Molecular Weight: 345.35 g/mol
• Exact Mass: 345.14
• IUPAC Name: 6,7-difluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine
• SMILES: Cn1nccc1[C@@H]1OCC[C@H]1CNc1cnc2cc(F)c(F)cc2n1
• InChI: InChI=1S/C17H17F2N5O/c1-24-15(2-4-22-24)17-10(3-5-25-17)8-21-16-9-20-13-6-11(18)12(19)7-14(13)23-16/h2,4,6-7,9-10,17H,3,5,8H2,1H3,(H,21,23)/t10-,17+/m0/s1
• InChIKey: PCVBEHUKDGOVDK-DYZYQPBXSA-N
• XLogP: 2.83
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.35
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine?

The IUPAC name of 6,7-difluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine (CID 129000376) is 6,7-difluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine.

What is the SMILES notation for 6,7-difluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine?

The canonical SMILES for 6,7-difluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine is Cn1nccc1[C@@H]1OCC[C@H]1CNc1cnc2cc(F)c(F)cc2n1.

What is the InChIKey of 6,7-difluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine?

The InChIKey is PCVBEHUKDGOVDK-DYZYQPBXSA-N. The full InChI is InChI=1S/C17H17F2N5O/c1-24-15(2-4-22-24)17-10(3-5-25-17)8-21-16-9-20-13-6-11(18)12(19)7-14(13)23-16/h2,4,6-7,9-10,17H,3,5,8H2,1H3,(H,21,23)/t10-,17+/m0/s1.

What are the key properties of 6,7-difluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine?

6,7-difluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine has a molecular weight of 345.35 g/mol, XLogP of 2.83, 4 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-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 129000376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).