4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide

C22H28FN7O2 — CID 177108724

About 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide

4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide (PubChem CID 177108724) has the molecular formula C22H28FN7O2 and a molecular weight of 441.51 g/mol. Its IUPAC name is 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide
• PubChem CID: 177108724
• Molecular Formula: C22H28FN7O2
• Molecular Weight: 441.51 g/mol
• Exact Mass: 441.23
• IUPAC Name: 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide
• SMILES: CCOc1nc(N(C)CC2CCCNC2)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1
• InChI: InChI=1S/C22H28FN7O2/c1-4-32-21-17(10-25-22(28-21)29(3)12-15-6-5-7-24-9-15)20(31)27-16-8-18(23)19-26-14(2)11-30(19)13-16/h8,10-11,13,15,24H,4-7,9,12H2,1-3H3,(H,27,31)
• InChIKey: UUSDDMVABGFKLI-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 96.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.51
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide?

The IUPAC name of 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide (CID 177108724) is 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide.

What is the SMILES notation for 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide?

The canonical SMILES for 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide is CCOc1nc(N(C)CC2CCCNC2)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1.

What is the InChIKey of 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide?

The InChIKey is UUSDDMVABGFKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN7O2/c1-4-32-21-17(10-25-22(28-21)29(3)12-15-6-5-7-24-9-15)20(31)27-16-8-18(23)19-26-14(2)11-30(19)13-16/h8,10-11,13,15,24H,4-7,9,12H2,1-3H3,(H,27,31).

What are the key properties of 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide?

4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 177108724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).