N-[4-[5-[2-amino-1-(2,5-dibromo-4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide

C26H32Br2ClFN6O4S — CID 59028254

About N-[4-[5-[2-amino-1-(2,5-dibromo-4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide

N-[4-[5-[2-amino-1-(2,5-dibromo-4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide (PubChem CID 59028254) has the molecular formula C26H32Br2ClFN6O4S and a molecular weight of 738.91 g/mol. Its IUPAC name is N-[4-[5-[2-amino-1-(2,5-dibromo-4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[4-[5-[2-amino-1-(2,5-dibromo-4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
• PubChem CID: 59028254
• Molecular Formula: C26H32Br2ClFN6O4S
• Molecular Weight: 738.91 g/mol
• Exact Mass: 736.02
• IUPAC Name: N-[4-[5-[2-amino-1-(2,5-dibromo-4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
• SMILES: COCCN(CC1CC1C)c1cc(-c2nnc(C(C)(N)Cc3cc(Br)c(F)cc3Br)o2)c(Cl)c(N(C)S(C)(=O)=O)n1
• InChI: InChI=1S/C26H32Br2ClFN6O4S/c1-14-8-16(14)13-36(6-7-39-4)21-10-17(22(29)23(32-21)35(3)41(5,37)38)24-33-34-25(40-24)26(2,31)12-15-9-19(28)20(30)11-18(15)27/h9-11,14,16H,6-8,12-13,31H2,1-5H3
• InChIKey: LTEXZTPLPDGYGM-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 127.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.91
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[2-amino-1-(2,5-dibromo-4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?

The IUPAC name of N-[4-[5-[2-amino-1-(2,5-dibromo-4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide (CID 59028254) is N-[4-[5-[2-amino-1-(2,5-dibromo-4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide.

What is the SMILES notation for N-[4-[5-[2-amino-1-(2,5-dibromo-4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?

The canonical SMILES for N-[4-[5-[2-amino-1-(2,5-dibromo-4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide is COCCN(CC1CC1C)c1cc(-c2nnc(C(C)(N)Cc3cc(Br)c(F)cc3Br)o2)c(Cl)c(N(C)S(C)(=O)=O)n1.

What is the InChIKey of N-[4-[5-[2-amino-1-(2,5-dibromo-4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?

The InChIKey is LTEXZTPLPDGYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Br2ClFN6O4S/c1-14-8-16(14)13-36(6-7-39-4)21-10-17(22(29)23(32-21)35(3)41(5,37)38)24-33-34-25(40-24)26(2,31)12-15-9-19(28)20(30)11-18(15)27/h9-11,14,16H,6-8,12-13,31H2,1-5H3.

What are the key properties of N-[4-[5-[2-amino-1-(2,5-dibromo-4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?

N-[4-[5-[2-amino-1-(2,5-dibromo-4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide has a molecular weight of 738.91 g/mol, XLogP of 5.37, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[2-amino-1-(2,5-dibromo-4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 59028254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).