4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide

C22H28FN7O2 — CID 177108754

About 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide

4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 177108754) 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-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide
• PubChem CID: 177108754
• 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-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide
• SMILES: CCOc1nc(N2CCN[C@@H](C(C)C)C2)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1
• InChI: InChI=1S/C22H28FN7O2/c1-5-32-21-16(9-25-22(28-21)29-7-6-24-18(12-29)13(2)3)20(31)27-15-8-17(23)19-26-14(4)10-30(19)11-15/h8-11,13,18,24H,5-7,12H2,1-4H3,(H,27,31)/t18-/m1/s1
• InChIKey: LFHYTANKKCFFRT-GOSISDBHSA-N
• XLogP: 2.66
• TPSA: 96.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• 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-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide?

The IUPAC name of 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide (CID 177108754) is 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide.

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

The canonical SMILES for 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide is CCOc1nc(N2CCN[C@@H](C(C)C)C2)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-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide?

The InChIKey is LFHYTANKKCFFRT-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28FN7O2/c1-5-32-21-16(9-25-22(28-21)29-7-6-24-18(12-29)13(2)3)20(31)27-15-8-17(23)19-26-14(4)10-30(19)11-15/h8-11,13,18,24H,5-7,12H2,1-4H3,(H,27,31)/t18-/m1/s1.

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

4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 2.66, 6 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-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 177108754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).