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

C15H15F3N4S — CID 143045035

IUPACN-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine;ethane
SMILESCC.CC(F)(F)c1ccc(Nc2ccnc3nc(F)cnc23)s1
InChIInChI=1S/C13H9F3N4S.C2H6/c1-13(15,16)8-2-3-10(21-8)19-7-4-5-17-12-11(7)18-6-9(14)20-12;1-2/h2-6H,1H3,(H,17,19,20);1-2H3
InChIKeyKMHZVOGYTZJMPL-UHFFFAOYSA-N
MW340.37 g/mol
LogP5.11
Rot. Bonds3

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

N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine;ethane (PubChem CID 143045035) has the molecular formula C15H15F3N4S and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine;ethane.

Molecular Properties

Compound NameN-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine;ethane
PubChem CID143045035
Molecular FormulaC15H15F3N4S
Molecular Weight340.37 g/mol
Exact Mass340.10
IUPAC NameN-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine;ethane
SMILESCC.CC(F)(F)c1ccc(Nc2ccnc3nc(F)cnc23)s1
InChIInChI=1S/C13H9F3N4S.C2H6/c1-13(15,16)8-2-3-10(21-8)19-7-4-5-17-12-11(7)18-6-9(14)20-12;1-2/h2-6H,1H3,(H,17,19,20);1-2H3
InChIKeyKMHZVOGYTZJMPL-UHFFFAOYSA-N
XLogP5.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.37
LogP ≤ 55.11
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;ethane?
The IUPAC name of N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine;ethane (CID 143045035) is N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine;ethane.
What is the SMILES notation for N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine;ethane?
The canonical SMILES for N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine;ethane is CC.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;ethane?
The InChIKey is KMHZVOGYTZJMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4S.C2H6/c1-13(15,16)8-2-3-10(21-8)19-7-4-5-17-12-11(7)18-6-9(14)20-12;1-2/h2-6H,1H3,(H,17,19,20);1-2H3.
What are the key properties of N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine;ethane?
N-[5-(1,1-difluoroethyl)thiophen-2-yl]-3-fluoropyrido[2,3-b]pyrazin-8-amine;ethane has a molecular weight of 340.37 g/mol, XLogP of 5.11, 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;ethane is sourced from PubChem (CID 143045035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).