6-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-3-carboxamide

C26H22FN7O — CID 121249739

About 6-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-3-carboxamide

6-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 121249739) has the molecular formula C26H22FN7O and a molecular weight of 467.51 g/mol. Its IUPAC name is 6-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-3-carboxamide
• PubChem CID: 121249739
• Molecular Formula: C26H22FN7O
• Molecular Weight: 467.51 g/mol
• Exact Mass: 467.19
• IUPAC Name: 6-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-3-carboxamide
• SMILES: Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C6CC6)nc5)c(F)c4)c3[nH]2)cn1
• InChI: InChI=1S/C26H22FN7O/c1-34-14-19(13-31-34)24-32-23-20(8-9-28-25(23)33-24)16-4-5-17(21(27)10-16)11-30-26(35)18-6-7-22(29-12-18)15-2-3-15/h4-10,12-15H,2-3,11H2,1H3,(H,30,35)(H,28,32,33)
• InChIKey: CWSPHFGGRKSJLI-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.51
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-3-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-3-carboxamide (CID 121249739) is 6-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-3-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-3-carboxamide is Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C6CC6)nc5)c(F)c4)c3[nH]2)cn1.

What is the InChIKey of 6-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-3-carboxamide?

The InChIKey is CWSPHFGGRKSJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O/c1-34-14-19(13-31-34)24-32-23-20(8-9-28-25(23)33-24)16-4-5-17(21(27)10-16)11-30-26(35)18-6-7-22(29-12-18)15-2-3-15/h4-10,12-15H,2-3,11H2,1H3,(H,30,35)(H,28,32,33).

What are the key properties of 6-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-3-carboxamide?

6-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 467.51 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 121249739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).