N-[(6-butan-2-yl-3-pyridinyl)methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

C25H27FN8O — CID 142404217

About N-[(6-butan-2-yl-3-pyridinyl)methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

N-[(6-butan-2-yl-3-pyridinyl)methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 142404217) has the molecular formula C25H27FN8O and a molecular weight of 474.54 g/mol. Its IUPAC name is N-[(6-butan-2-yl-3-pyridinyl)methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(6-butan-2-yl-3-pyridinyl)methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
• PubChem CID: 142404217
• Molecular Formula: C25H27FN8O
• Molecular Weight: 474.54 g/mol
• Exact Mass: 474.23
• IUPAC Name: N-[(6-butan-2-yl-3-pyridinyl)methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
• SMILES: CCC(C)c1ccc(CNC(=O)c2ncc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cc2F)cn1
• InChI: InChI=1S/C25H27FN8O/c1-5-14(2)20-7-6-17(11-27-20)12-29-25(35)23-19(26)10-18(13-28-23)24-30-15(3)8-21(32-24)31-22-9-16(4)33-34-22/h6-11,13-14H,5,12H2,1-4H3,(H,29,35)(H2,30,31,32,33,34)
• InChIKey: KXOLEELPBYGDPJ-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 121.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.54
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-butan-2-yl-3-pyridinyl)methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

The IUPAC name of N-[(6-butan-2-yl-3-pyridinyl)methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 142404217) is N-[(6-butan-2-yl-3-pyridinyl)methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(6-butan-2-yl-3-pyridinyl)methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[(6-butan-2-yl-3-pyridinyl)methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is CCC(C)c1ccc(CNC(=O)c2ncc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cc2F)cn1.

What is the InChIKey of N-[(6-butan-2-yl-3-pyridinyl)methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

The InChIKey is KXOLEELPBYGDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O/c1-5-14(2)20-7-6-17(11-27-20)12-29-25(35)23-19(26)10-18(13-28-23)24-30-15(3)8-21(32-24)31-22-9-16(4)33-34-22/h6-11,13-14H,5,12H2,1-4H3,(H,29,35)(H2,30,31,32,33,34).

What are the key properties of N-[(6-butan-2-yl-3-pyridinyl)methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

N-[(6-butan-2-yl-3-pyridinyl)methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 4.60, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-butan-2-yl-3-pyridinyl)methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 142404217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).