N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-(difluoromethoxy)-2-methyl-4-pyridinyl]-6-methylpyridine-3-carboxamide

C26H17F2N7O2S — CID 168984874

About N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-(difluoromethoxy)-2-methyl-4-pyridinyl]-6-methylpyridine-3-carboxamide

N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-(difluoromethoxy)-2-methyl-4-pyridinyl]-6-methylpyridine-3-carboxamide (PubChem CID 168984874) has the molecular formula C26H17F2N7O2S and a molecular weight of 529.53 g/mol. Its IUPAC name is N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-(difluoromethoxy)-2-methyl-4-pyridinyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-(difluoromethoxy)-2-methyl-4-pyridinyl]-6-methylpyridine-3-carboxamide
• PubChem CID: 168984874
• Molecular Formula: C26H17F2N7O2S
• Molecular Weight: 529.53 g/mol
• Exact Mass: 529.11
• IUPAC Name: N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-(difluoromethoxy)-2-methyl-4-pyridinyl]-6-methylpyridine-3-carboxamide
• SMILES: Cc1cc(-c2cc(C)ncc2C(=O)Nc2nc3ncc(-c4ccc(C#N)cc4)nc3s2)c(OC(F)F)cn1
• InChI: InChI=1S/C26H17F2N7O2S/c1-13-7-17(18-8-14(2)31-12-21(18)37-25(27)28)19(10-30-13)23(36)35-26-34-22-24(38-26)33-20(11-32-22)16-5-3-15(9-29)4-6-16/h3-8,10-12,25H,1-2H3,(H,32,34,35,36)
• InChIKey: AUKLPDWPBJTXKK-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 126.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.53
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-(difluoromethoxy)-2-methyl-4-pyridinyl]-6-methylpyridine-3-carboxamide (CID 168984874) is N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-(difluoromethoxy)-2-methyl-4-pyridinyl]-6-methylpyridine-3-carboxamide.

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

The canonical SMILES for N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-(difluoromethoxy)-2-methyl-4-pyridinyl]-6-methylpyridine-3-carboxamide is Cc1cc(-c2cc(C)ncc2C(=O)Nc2nc3ncc(-c4ccc(C#N)cc4)nc3s2)c(OC(F)F)cn1.

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

The InChIKey is AUKLPDWPBJTXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2N7O2S/c1-13-7-17(18-8-14(2)31-12-21(18)37-25(27)28)19(10-30-13)23(36)35-26-34-22-24(38-26)33-20(11-32-22)16-5-3-15(9-29)4-6-16/h3-8,10-12,25H,1-2H3,(H,32,34,35,36).

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

N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-(difluoromethoxy)-2-methyl-4-pyridinyl]-6-methylpyridine-3-carboxamide has a molecular weight of 529.53 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-(difluoromethoxy)-2-methyl-4-pyridinyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 168984874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).