N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine

C13H9F3N4S — CID 143045036

IUPACN-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine
SMILESCC(F)(F)c1ccc(Nc2ccnc3nc(F)cnc23)s1
InChIInChI=1S/C13H9F3N4S/c1-13(15,16)8-2-3-10(21-8)19-7-4-5-17-12-11(7)18-6-9(14)20-12/h2-6H,1H3,(H,17,19,20)
InChIKeyIHJSFAOUFPARBS-UHFFFAOYSA-N
MW310.30 g/mol
LogP4.08
Rot. Bonds3

About N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine

N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine (PubChem CID 143045036) has the molecular formula C13H9F3N4S and a molecular weight of 310.30 g/mol. Its IUPAC name is N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound NameN-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine
PubChem CID143045036
Molecular FormulaC13H9F3N4S
Molecular Weight310.30 g/mol
Exact Mass310.05
IUPAC NameN-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine
SMILESCC(F)(F)c1ccc(Nc2ccnc3nc(F)cnc23)s1
InChIInChI=1S/C13H9F3N4S/c1-13(15,16)8-2-3-10(21-8)19-7-4-5-17-12-11(7)18-6-9(14)20-12/h2-6H,1H3,(H,17,19,20)
InChIKeyIHJSFAOUFPARBS-UHFFFAOYSA-N
XLogP4.08
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine (CID 143045036) is N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine is CC(F)(F)c1ccc(Nc2ccnc3nc(F)cnc23)s1.
What is the InChIKey of N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine?
The InChIKey is IHJSFAOUFPARBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4S/c1-13(15,16)8-2-3-10(21-8)19-7-4-5-17-12-11(7)18-6-9(14)20-12/h2-6H,1H3,(H,17,19,20).
What are the key properties of N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine?
N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine has a molecular weight of 310.30 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 143045036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).