5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide

C28H22FN9O2 — CID 135256724

About 5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide

5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide (PubChem CID 135256724) has the molecular formula C28H22FN9O2 and a molecular weight of 535.54 g/mol. Its IUPAC name is 5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide
• PubChem CID: 135256724
• Molecular Formula: C28H22FN9O2
• Molecular Weight: 535.54 g/mol
• Exact Mass: 535.19
• IUPAC Name: 5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide
• SMILES: Cc1cc(Nc2cc(C#N)on2)nc(-c2ccc(C(=O)NC(C)c3ccc(-c4cc(F)cnc4C)nc3)nc2)n1
• InChI: InChI=1S/C28H22FN9O2/c1-15-8-25(36-26-10-21(11-30)40-38-26)37-27(34-15)19-5-7-24(33-13-19)28(39)35-16(2)18-4-6-23(32-12-18)22-9-20(29)14-31-17(22)3/h4-10,12-14,16H,1-3H3,(H,35,39)(H,34,36,37,38)
• InChIKey: LFQFTBPPGREBQM-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 155.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.54
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?

The IUPAC name of 5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide (CID 135256724) is 5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide is Cc1cc(Nc2cc(C#N)on2)nc(-c2ccc(C(=O)NC(C)c3ccc(-c4cc(F)cnc4C)nc3)nc2)n1.

What is the InChIKey of 5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?

The InChIKey is LFQFTBPPGREBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN9O2/c1-15-8-25(36-26-10-21(11-30)40-38-26)37-27(34-15)19-5-7-24(33-13-19)28(39)35-16(2)18-4-6-23(32-12-18)22-9-20(29)14-31-17(22)3/h4-10,12-14,16H,1-3H3,(H,35,39)(H,34,36,37,38).

What are the key properties of 5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?

5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide has a molecular weight of 535.54 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 135256724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).