1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone

C59H50ClF4N7O8 — CID 159470045

About 1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone

1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone (PubChem CID 159470045) has the molecular formula C59H50ClF4N7O8 and a molecular weight of 1096.53 g/mol. Its IUPAC name is 1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

• Compound Name: 1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
• PubChem CID: 159470045
• Molecular Formula: C59H50ClF4N7O8
• Molecular Weight: 1096.53 g/mol
• Exact Mass: 1095.33
• IUPAC Name: 1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
• SMILES: O=C(Cc1ccc(F)cc1)C1(C(=O)Cc2ccc(Oc3ccnc4ncc(Cl)nc34)c(F)c2)CC1.O=C(Cc1ccc(F)cc1)C1(C(=O)Cc2ccc(Oc3ccnc4ncc(OCCCN5CCOCC5)nc34)c(F)c2)CC1
• InChI: InChI=1S/C33H32F2N4O5.C26H18ClF2N3O3/c34-24-5-2-22(3-6-24)19-28(40)33(9-10-33)29(41)20-23-4-7-26(25(35)18-23)44-27-8-11-36-32-31(27)38-30(21-37-32)43-15-1-12-39-13-16-42-17-14-39;27-23-14-31-25-24(32-23)20(7-10-30-25)35-19-6-3-16(11-18(19)29)13-22(34)26(8-9-26)21(33)12-15-1-4-17(28)5-2-15/h2-8,11,18,21H,1,9-10,12-17,19-20H2;1-7,10-11,14H,8-9,12-13H2
• InChIKey: LVRMNSNAQLGDFS-UHFFFAOYSA-N
• XLogP: 10.35
• TPSA: 185.78 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1096.53
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?

The IUPAC name of 1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone (CID 159470045) is 1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone.

What is the SMILES notation for 1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?

The canonical SMILES for 1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)C1(C(=O)Cc2ccc(Oc3ccnc4ncc(Cl)nc34)c(F)c2)CC1.O=C(Cc1ccc(F)cc1)C1(C(=O)Cc2ccc(Oc3ccnc4ncc(OCCCN5CCOCC5)nc34)c(F)c2)CC1.

What is the InChIKey of 1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?

The InChIKey is LVRMNSNAQLGDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F2N4O5.C26H18ClF2N3O3/c34-24-5-2-22(3-6-24)19-28(40)33(9-10-33)29(41)20-23-4-7-26(25(35)18-23)44-27-8-11-36-32-31(27)38-30(21-37-32)43-15-1-12-39-13-16-42-17-14-39;27-23-14-31-25-24(32-23)20(7-10-30-25)35-19-6-3-16(11-18(19)29)13-22(34)26(8-9-26)21(33)12-15-1-4-17(28)5-2-15/h2-8,11,18,21H,1,9-10,12-17,19-20H2;1-7,10-11,14H,8-9,12-13H2.

What are the key properties of 1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?

1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone has a molecular weight of 1096.53 g/mol, XLogP of 10.35, 21 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 159470045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).