2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine

C18H15F3N4O — CID 90038113

IUPAC2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine
SMILESFc1ccc(OC2CCN(c3nc4ccncc4nc3F)CC2)c(F)c1
InChIInChI=1S/C18H15F3N4O/c19-11-1-2-16(13(20)9-11)26-12-4-7-25(8-5-12)18-17(21)23-15-10-22-6-3-14(15)24-18/h1-3,6,9-10,12H,4-5,7-8H2
InChIKeyUNOPFEVKEJESDY-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.49
Rot. Bonds3

About 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine

2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine (PubChem CID 90038113) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine
PubChem CID90038113
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine
SMILESFc1ccc(OC2CCN(c3nc4ccncc4nc3F)CC2)c(F)c1
InChIInChI=1S/C18H15F3N4O/c19-11-1-2-16(13(20)9-11)26-12-4-7-25(8-5-12)18-17(21)23-15-10-22-6-3-14(15)24-18/h1-3,6,9-10,12H,4-5,7-8H2
InChIKeyUNOPFEVKEJESDY-UHFFFAOYSA-N
XLogP3.49
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine?
The IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine (CID 90038113) is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine.
What is the SMILES notation for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine?
The canonical SMILES for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine is Fc1ccc(OC2CCN(c3nc4ccncc4nc3F)CC2)c(F)c1.
What is the InChIKey of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine?
The InChIKey is UNOPFEVKEJESDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c19-11-1-2-16(13(20)9-11)26-12-4-7-25(8-5-12)18-17(21)23-15-10-22-6-3-14(15)24-18/h1-3,6,9-10,12H,4-5,7-8H2.
What are the key properties of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine?
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine has a molecular weight of 360.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine is sourced from PubChem (CID 90038113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).