7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C25H16F2N8 — CID 146490624

IUPAC7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2ccc3nccnc3c2)c2nc(Cc3ncccc3F)nn12
InChIInChI=1S/C25H16F2N8/c26-16-6-3-14(4-7-16)23-22(15-5-8-18-20(12-15)31-11-10-30-18)24-32-21(34-35(24)25(28)33-23)13-19-17(27)2-1-9-29-19/h1-12H,13H2,(H2,28,33)
InChIKeyZMGFNGGDALMTBY-UHFFFAOYSA-N
MW466.46 g/mol
LogP4.25
Rot. Bonds4

About 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490624) has the molecular formula C25H16F2N8 and a molecular weight of 466.46 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490624
Molecular FormulaC25H16F2N8
Molecular Weight466.46 g/mol
Exact Mass466.15
IUPAC Name7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2ccc3nccnc3c2)c2nc(Cc3ncccc3F)nn12
InChIInChI=1S/C25H16F2N8/c26-16-6-3-14(4-7-16)23-22(15-5-8-18-20(12-15)31-11-10-30-18)24-32-21(34-35(24)25(28)33-23)13-19-17(27)2-1-9-29-19/h1-12H,13H2,(H2,28,33)
InChIKeyZMGFNGGDALMTBY-UHFFFAOYSA-N
XLogP4.25
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490624) is 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nccnc3c2)c2nc(Cc3ncccc3F)nn12.
What is the InChIKey of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is ZMGFNGGDALMTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2N8/c26-16-6-3-14(4-7-16)23-22(15-5-8-18-20(12-15)31-11-10-30-18)24-32-21(34-35(24)25(28)33-23)13-19-17(27)2-1-9-29-19/h1-12H,13H2,(H2,28,33).
What are the key properties of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 466.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinoxalin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).