N-[3-fluoro-4-[[2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide

C37H38F2N8O6 — CID 169490150

About N-[3-fluoro-4-[[2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide

N-[3-fluoro-4-[[2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide (PubChem CID 169490150) has the molecular formula C37H38F2N8O6 and a molecular weight of 728.76 g/mol. Its IUPAC name is N-[3-fluoro-4-[[2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[[2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide
• PubChem CID: 169490150
• Molecular Formula: C37H38F2N8O6
• Molecular Weight: 728.76 g/mol
• Exact Mass: 728.29
• IUPAC Name: N-[3-fluoro-4-[[2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide
• SMILES: CC(C)N1CC(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)cn4)c3)c(F)c2)C(=O)N(c2ccc(F)cc2)C1=O
• InChI: InChI=1S/C37H38F2N8O6/c1-23(2)46-22-29(36(50)47(37(46)51)27-7-4-25(38)5-8-27)35(49)43-26-6-9-31(30(39)19-26)53-28-11-12-40-33(20-28)44-32-10-3-24(21-42-32)34(48)41-13-14-45-15-17-52-18-16-45/h3-12,19-21,23,29H,13-18,22H2,1-2H3,(H,41,48)(H,43,49)(H,40,42,44)
• InChIKey: RCVRCMGGLMAZJK-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 158.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	728.76
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?

The IUPAC name of N-[3-fluoro-4-[[2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide (CID 169490150) is N-[3-fluoro-4-[[2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[[2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[[2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide is CC(C)N1CC(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)cn4)c3)c(F)c2)C(=O)N(c2ccc(F)cc2)C1=O.

What is the InChIKey of N-[3-fluoro-4-[[2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?

The InChIKey is RCVRCMGGLMAZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38F2N8O6/c1-23(2)46-22-29(36(50)47(37(46)51)27-7-4-25(38)5-8-27)35(49)43-26-6-9-31(30(39)19-26)53-28-11-12-40-33(20-28)44-32-10-3-24(21-42-32)34(48)41-13-14-45-15-17-52-18-16-45/h3-12,19-21,23,29H,13-18,22H2,1-2H3,(H,41,48)(H,43,49)(H,40,42,44).

What are the key properties of N-[3-fluoro-4-[[2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?

N-[3-fluoro-4-[[2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide has a molecular weight of 728.76 g/mol, XLogP of 4.78, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[[2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 169490150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).