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

C33H29F4N7O5 — CID 169490152

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

N-[4-[[2-[[5-(2,2-difluoroethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide (PubChem CID 169490152) has the molecular formula C33H29F4N7O5 and a molecular weight of 679.63 g/mol. Its IUPAC name is N-[4-[[2-[[5-(2,2-difluoroethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[2-[[5-(2,2-difluoroethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide
• PubChem CID: 169490152
• Molecular Formula: C33H29F4N7O5
• Molecular Weight: 679.63 g/mol
• Exact Mass: 679.22
• IUPAC Name: N-[4-[[2-[[5-(2,2-difluoroethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-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)NCC(F)F)cn4)c3)c(F)c2)C(=O)N(c2ccc(F)cc2)C1=O
• InChI: InChI=1S/C33H29F4N7O5/c1-18(2)43-17-24(32(47)44(33(43)48)22-7-4-20(34)5-8-22)31(46)41-21-6-9-26(25(35)13-21)49-23-11-12-38-29(14-23)42-28-10-3-19(15-39-28)30(45)40-16-27(36)37/h3-15,18,24,27H,16-17H2,1-2H3,(H,40,45)(H,41,46)(H,38,39,42)
• InChIKey: HFJVYADEUSFZIV-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 145.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.63
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[4-[[2-[[5-(2,2-difluoroethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide (CID 169490152) is N-[4-[[2-[[5-(2,2-difluoroethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide.

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

The canonical SMILES for N-[4-[[2-[[5-(2,2-difluoroethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-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)NCC(F)F)cn4)c3)c(F)c2)C(=O)N(c2ccc(F)cc2)C1=O.

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

The InChIKey is HFJVYADEUSFZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F4N7O5/c1-18(2)43-17-24(32(47)44(33(43)48)22-7-4-20(34)5-8-22)31(46)41-21-6-9-26(25(35)13-21)49-23-11-12-38-29(14-23)42-28-10-3-19(15-39-28)30(45)40-16-27(36)37/h3-15,18,24,27H,16-17H2,1-2H3,(H,40,45)(H,41,46)(H,38,39,42).

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

N-[4-[[2-[[5-(2,2-difluoroethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide has a molecular weight of 679.63 g/mol, XLogP of 5.72, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-[[5-(2,2-difluoroethylcarbamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 169490152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).