1-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C51H46F6N10O7 — CID 87710607

About 1-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 87710607) has the molecular formula C51H46F6N10O7 and a molecular weight of 1024.98 g/mol. Its IUPAC name is 1-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• PubChem CID: 87710607
• Molecular Formula: C51H46F6N10O7
• Molecular Weight: 1024.98 g/mol
• Exact Mass: 1024.35
• IUPAC Name: 1-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• SMILES: CN(C)CC1CN(C(=O)Nc2cc(Oc3cc(F)c(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccn2)C1.Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1
• InChI: InChI=1S/C29H29F3N6O4.C22H17F3N4O3/c1-37(2)14-17-15-38(16-17)28(41)36-25-11-20(7-10-33-25)42-24-13-21(31)23(12-22(24)32)35-27(40)29(8-9-29)26(39)34-19-5-3-18(30)4-6-19;23-12-1-3-13(4-2-12)28-20(30)22(6-7-22)21(31)29-17-10-16(25)18(11-15(17)24)32-14-5-8-27-19(26)9-14/h3-7,10-13,17H,8-9,14-16H2,1-2H3,(H,34,39)(H,35,40)(H,33,36,41);1-5,8-11H,6-7H2,(H2,26,27)(H,28,30)(H,29,31)
• InChIKey: ZRMHPEFEMCCDMV-UHFFFAOYSA-N
• XLogP: 8.90
• TPSA: 222.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1024.98
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 87710607) is 1-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is CN(C)CC1CN(C(=O)Nc2cc(Oc3cc(F)c(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccn2)C1.Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1.

What is the InChIKey of 1-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The InChIKey is ZRMHPEFEMCCDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N6O4.C22H17F3N4O3/c1-37(2)14-17-15-38(16-17)28(41)36-25-11-20(7-10-33-25)42-24-13-21(31)23(12-22(24)32)35-27(40)29(8-9-29)26(39)34-19-5-3-18(30)4-6-19;23-12-1-3-13(4-2-12)28-20(30)22(6-7-22)21(31)29-17-10-16(25)18(11-15(17)24)32-14-5-8-27-19(26)9-14/h3-7,10-13,17H,8-9,14-16H2,1-2H3,(H,34,39)(H,35,40)(H,33,36,41);1-5,8-11H,6-7H2,(H2,26,27)(H,28,30)(H,29,31).

What are the key properties of 1-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

1-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 1024.98 g/mol, XLogP of 8.90, 15 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 87710607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).