N-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide

C25H15FN6O2S — CID 168984826

IUPACN-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nc2ncc(-c3ccc(C#N)c(F)c3)nc2s1
InChIInChI=1S/C25H15FN6O2S/c1-34-21-5-3-2-4-16(21)18-12-28-9-8-17(18)23(33)32-25-31-22-24(35-25)30-20(13-29-22)14-6-7-15(11-27)19(26)10-14/h2-10,12-13H,1H3,(H,29,31,32,33)
InChIKeyUDINAAFLPVUGGV-UHFFFAOYSA-N
MW482.50 g/mol
LogP5.09
Rot. Bonds5

About N-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide

N-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 168984826) has the molecular formula C25H15FN6O2S and a molecular weight of 482.50 g/mol. Its IUPAC name is N-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
PubChem CID168984826
Molecular FormulaC25H15FN6O2S
Molecular Weight482.50 g/mol
Exact Mass482.10
IUPAC NameN-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nc2ncc(-c3ccc(C#N)c(F)c3)nc2s1
InChIInChI=1S/C25H15FN6O2S/c1-34-21-5-3-2-4-16(21)18-12-28-9-8-17(18)23(33)32-25-31-22-24(35-25)30-20(13-29-22)14-6-7-15(11-27)19(26)10-14/h2-10,12-13H,1H3,(H,29,31,32,33)
InChIKeyUDINAAFLPVUGGV-UHFFFAOYSA-N
XLogP5.09
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide (CID 168984826) is N-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide is COc1ccccc1-c1cnccc1C(=O)Nc1nc2ncc(-c3ccc(C#N)c(F)c3)nc2s1.
What is the InChIKey of N-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is UDINAAFLPVUGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FN6O2S/c1-34-21-5-3-2-4-16(21)18-12-28-9-8-17(18)23(33)32-25-31-22-24(35-25)30-20(13-29-22)14-6-7-15(11-27)19(26)10-14/h2-10,12-13H,1H3,(H,29,31,32,33).
What are the key properties of N-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
N-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 482.50 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyano-3-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 168984826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).