(3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol

C16H15F2N5O2 — CID 154761289

IUPAC(3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol
SMILESCn1cc(O[C@@H]2CN(c3cnc4cc(F)c(F)cc4n3)C[C@H]2O)cn1
InChIInChI=1S/C16H15F2N5O2/c1-22-6-9(4-20-22)25-15-8-23(7-14(15)24)16-5-19-12-2-10(17)11(18)3-13(12)21-16/h2-6,14-15,24H,7-8H2,1H3/t14-,15-/m1/s1
InChIKeyRUWXYXWHWQZSEQ-HUUCEWRRSA-N
MW347.33 g/mol
LogP1.27
Rot. Bonds3

About (3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol

(3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol (PubChem CID 154761289) has the molecular formula C16H15F2N5O2 and a molecular weight of 347.33 g/mol. Its IUPAC name is (3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol
PubChem CID154761289
Molecular FormulaC16H15F2N5O2
Molecular Weight347.33 g/mol
Exact Mass347.12
IUPAC Name(3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol
SMILESCn1cc(O[C@@H]2CN(c3cnc4cc(F)c(F)cc4n3)C[C@H]2O)cn1
InChIInChI=1S/C16H15F2N5O2/c1-22-6-9(4-20-22)25-15-8-23(7-14(15)24)16-5-19-12-2-10(17)11(18)3-13(12)21-16/h2-6,14-15,24H,7-8H2,1H3/t14-,15-/m1/s1
InChIKeyRUWXYXWHWQZSEQ-HUUCEWRRSA-N
XLogP1.27
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol (CID 154761289) is (3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol is Cn1cc(O[C@@H]2CN(c3cnc4cc(F)c(F)cc4n3)C[C@H]2O)cn1.
What is the InChIKey of (3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol?
The InChIKey is RUWXYXWHWQZSEQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H15F2N5O2/c1-22-6-9(4-20-22)25-15-8-23(7-14(15)24)16-5-19-12-2-10(17)11(18)3-13(12)21-16/h2-6,14-15,24H,7-8H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol?
(3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol has a molecular weight of 347.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(6,7-difluoroquinoxalin-2-yl)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol is sourced from PubChem (CID 154761289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).