5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione

C32H26F2N6O4 — CID 149417288

About 5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione

5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione (PubChem CID 149417288) has the molecular formula C32H26F2N6O4 and a molecular weight of 596.59 g/mol. Its IUPAC name is 5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
• PubChem CID: 149417288
• Molecular Formula: C32H26F2N6O4
• Molecular Weight: 596.59 g/mol
• Exact Mass: 596.20
• IUPAC Name: 5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
• SMILES: CC(C)n1cc(C(=O)Cc2ccc(Oc3cc(-c4cn(C)cn4)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C32H26F2N6O4/c1-19(2)38-16-24(31(42)40(32(38)43)23-7-5-22(33)6-8-23)28(41)13-20-4-9-29(25(34)12-20)44-30-14-21(26-17-37(3)18-35-26)15-39-27(30)10-11-36-39/h4-12,14-19H,13H2,1-3H3
• InChIKey: YSKVFHRKDYHWDR-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 105.42 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.59
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione?

The IUPAC name of 5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione (CID 149417288) is 5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione.

What is the SMILES notation for 5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione?

The canonical SMILES for 5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione is CC(C)n1cc(C(=O)Cc2ccc(Oc3cc(-c4cn(C)cn4)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O.

What is the InChIKey of 5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione?

The InChIKey is YSKVFHRKDYHWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N6O4/c1-19(2)38-16-24(31(42)40(32(38)43)23-7-5-22(33)6-8-23)28(41)13-20-4-9-29(25(34)12-20)44-30-14-21(26-17-37(3)18-35-26)15-39-27(30)10-11-36-39/h4-12,14-19H,13H2,1-3H3.

What are the key properties of 5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione?

5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 596.59 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 149417288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).