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

C25H16ClN7O2S — CID 168984795

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

4-(5-chloro-2-methoxyphenyl)-N-[6-(5-cyano-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 168984795) has the molecular formula C25H16ClN7O2S and a molecular weight of 513.97 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-[6-(5-cyano-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(5-chloro-2-methoxyphenyl)-N-[6-(5-cyano-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 168984795
• Molecular Formula: C25H16ClN7O2S
• Molecular Weight: 513.97 g/mol
• Exact Mass: 513.08
• IUPAC Name: 4-(5-chloro-2-methoxyphenyl)-N-[6-(5-cyano-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide
• SMILES: COc1ccc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(C#N)cn3)nc2s1
• InChI: InChI=1S/C25H16ClN7O2S/c1-13-7-16(17-8-15(26)4-6-21(17)35-2)18(11-28-13)23(34)33-25-32-22-24(36-25)31-20(12-30-22)19-5-3-14(9-27)10-29-19/h3-8,10-12H,1-2H3,(H,30,32,33,34)
• InChIKey: NXJUPJUKIVKIMW-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 126.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.97
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[6-(5-cyano-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide?

The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[6-(5-cyano-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide (CID 168984795) is 4-(5-chloro-2-methoxyphenyl)-N-[6-(5-cyano-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-[6-(5-cyano-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-[6-(5-cyano-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide is COc1ccc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(C#N)cn3)nc2s1.

What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-[6-(5-cyano-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide?

The InChIKey is NXJUPJUKIVKIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN7O2S/c1-13-7-16(17-8-15(26)4-6-21(17)35-2)18(11-28-13)23(34)33-25-32-22-24(36-25)31-20(12-30-22)19-5-3-14(9-27)10-29-19/h3-8,10-12H,1-2H3,(H,30,32,33,34).

What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-[6-(5-cyano-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide?

4-(5-chloro-2-methoxyphenyl)-N-[6-(5-cyano-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 513.97 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-2-methoxyphenyl)-N-[6-(5-cyano-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 168984795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).