N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide

C51H43F3N10O6 — CID 123683537

About N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide

N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide (PubChem CID 123683537) has the molecular formula C51H43F3N10O6 and a molecular weight of 948.96 g/mol. Its IUPAC name is N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide.

Molecular Properties

• Compound Name: N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide
• PubChem CID: 123683537
• Molecular Formula: C51H43F3N10O6
• Molecular Weight: 948.96 g/mol
• Exact Mass: 948.33
• IUPAC Name: N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide
• SMILES: CCC(=O)NCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnc(NNC(=O)c5cc(-c6ccc(-c7ccc(OCCNC(=O)C(F)(F)F)cc7)cc6)nc6ccncc56)cc4n3)cc2)cc1
• InChI: InChI=1S/C51H43F3N10O6/c1-2-47(65)57-21-23-69-36-15-11-32(12-16-36)31-5-9-35(10-6-31)44-25-38(48(66)62-55)41-29-59-46(27-45(41)61-44)63-64-49(67)39-26-43(60-42-19-20-56-28-40(39)42)34-7-3-30(4-8-34)33-13-17-37(18-14-33)70-24-22-58-50(68)51(52,53)54/h3-20,25-29H,2,21-24,55H2,1H3,(H,57,65)(H,58,68)(H,59,63)(H,62,66)(H,64,67)
• InChIKey: MOFHJGQHKMVPEK-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 224.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	948.96
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide?

The IUPAC name of N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide (CID 123683537) is N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide.

What is the SMILES notation for N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide?

The canonical SMILES for N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide is CCC(=O)NCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnc(NNC(=O)c5cc(-c6ccc(-c7ccc(OCCNC(=O)C(F)(F)F)cc7)cc6)nc6ccncc56)cc4n3)cc2)cc1.

What is the InChIKey of N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide?

The InChIKey is MOFHJGQHKMVPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43F3N10O6/c1-2-47(65)57-21-23-69-36-15-11-32(12-16-36)31-5-9-35(10-6-31)44-25-38(48(66)62-55)41-29-59-46(27-45(41)61-44)63-64-49(67)39-26-43(60-42-19-20-56-28-40(39)42)34-7-3-30(4-8-34)33-13-17-37(18-14-33)70-24-22-58-50(68)51(52,53)54/h3-20,25-29H,2,21-24,55H2,1H3,(H,57,65)(H,58,68)(H,59,63)(H,62,66)(H,64,67).

What are the key properties of N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide?

N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide has a molecular weight of 948.96 g/mol, XLogP of 7.56, 17 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide is sourced from PubChem (CID 123683537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).