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

C24H15ClFN5O2S — CID 168984847

IUPACN-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cccc(F)c1-c1cnccc1C(=O)Nc1nc2ncc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C24H15ClFN5O2S/c1-33-19-4-2-3-17(26)20(19)16-11-27-10-9-15(16)22(32)31-24-30-21-23(34-24)29-18(12-28-21)13-5-7-14(25)8-6-13/h2-12H,1H3,(H,28,30,31,32)
InChIKeyCMLYFBDWDADWFA-UHFFFAOYSA-N
MW491.94 g/mol
LogP5.87
Rot. Bonds5

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

N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 168984847) has the molecular formula C24H15ClFN5O2S and a molecular weight of 491.94 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide
PubChem CID168984847
Molecular FormulaC24H15ClFN5O2S
Molecular Weight491.94 g/mol
Exact Mass491.06
IUPAC NameN-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cccc(F)c1-c1cnccc1C(=O)Nc1nc2ncc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C24H15ClFN5O2S/c1-33-19-4-2-3-17(26)20(19)16-11-27-10-9-15(16)22(32)31-24-30-21-23(34-24)29-18(12-28-21)13-5-7-14(25)8-6-13/h2-12H,1H3,(H,28,30,31,32)
InChIKeyCMLYFBDWDADWFA-UHFFFAOYSA-N
XLogP5.87
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.94
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide (CID 168984847) is N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide is COc1cccc(F)c1-c1cnccc1C(=O)Nc1nc2ncc(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is CMLYFBDWDADWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFN5O2S/c1-33-19-4-2-3-17(26)20(19)16-11-27-10-9-15(16)22(32)31-24-30-21-23(34-24)29-18(12-28-21)13-5-7-14(25)8-6-13/h2-12H,1H3,(H,28,30,31,32).
What are the key properties of N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide?
N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 491.94 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-3-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 168984847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).