3-[4-[3-[2-(2,4-difluorophenyl)-6-[3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propylsulfonylamino]-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propyl N-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate

C75H61F5N18O6S2 — CID 167083174

About 3-[4-[3-[2-(2,4-difluorophenyl)-6-[3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propylsulfonylamino]-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propyl N-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate

3-[4-[3-[2-(2,4-difluorophenyl)-6-[3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propylsulfonylamino]-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propyl N-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate (PubChem CID 167083174) has the molecular formula C75H61F5N18O6S2 and a molecular weight of 1469.56 g/mol. Its IUPAC name is 3-[4-[3-[2-(2,4-difluorophenyl)-6-[3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propylsulfonylamino]-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propyl N-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: 3-[4-[3-[2-(2,4-difluorophenyl)-6-[3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propylsulfonylamino]-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propyl N-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate
• PubChem CID: 167083174
• Molecular Formula: C75H61F5N18O6S2
• Molecular Weight: 1469.56 g/mol
• Exact Mass: 1468.44
• IUPAC Name: 3-[4-[3-[2-(2,4-difluorophenyl)-6-[3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propylsulfonylamino]-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propyl N-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate
• SMILES: CCCS(=O)(=O)Nc1cc(-c2cnc3cc(-c4cnn(CCCS(=O)(=O)Nc5cc(-c6cnc7cc(-c8cnn(CCCOC(=O)Nc9cc(-c%10cnc%11cc(-c%12cnn(C)c%12)ccn%10%11)cc(-c%10ccc(F)cc%10C)n9)c8)ccn67)cc(-c6ccc(F)cc6F)n5)c4)ccn23)cc(-c2ccc(F)cc2F)n1
• InChI: InChI=1S/C75H61F5N18O6S2/c1-4-22-105(100,101)91-70-29-50(26-64(88-70)59-11-8-56(77)34-61(59)79)67-40-82-74-33-48(15-20-97(67)74)54-38-86-95(44-54)17-6-23-106(102,103)92-71-30-51(27-65(89-71)60-12-9-57(78)35-62(60)80)68-41-83-73-32-47(14-19-98(68)73)53-37-85-94(43-53)16-5-21-104-75(99)90-69-28-49(25-63(87-69)58-10-7-55(76)24-45(58)2)66-39-81-72-31-46(13-18-96(66)72)52-36-84-93(3)42-52/h7-15,18-20,24-44H,4-6,16-17,21-23H2,1-3H3,(H,88,91)(H,89,92)(H,87,90,99)
• InChIKey: HFOVSFQMFLEWDP-UHFFFAOYSA-N
• XLogP: 14.57
• TPSA: 274.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1469.56
LogP ≤ 5	14.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[2-(2,4-difluorophenyl)-6-[3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propylsulfonylamino]-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propyl N-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?

The IUPAC name of 3-[4-[3-[2-(2,4-difluorophenyl)-6-[3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propylsulfonylamino]-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propyl N-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate (CID 167083174) is 3-[4-[3-[2-(2,4-difluorophenyl)-6-[3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propylsulfonylamino]-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propyl N-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate.

What is the SMILES notation for 3-[4-[3-[2-(2,4-difluorophenyl)-6-[3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propylsulfonylamino]-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propyl N-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?

The canonical SMILES for 3-[4-[3-[2-(2,4-difluorophenyl)-6-[3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propylsulfonylamino]-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propyl N-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate is CCCS(=O)(=O)Nc1cc(-c2cnc3cc(-c4cnn(CCCS(=O)(=O)Nc5cc(-c6cnc7cc(-c8cnn(CCCOC(=O)Nc9cc(-c%10cnc%11cc(-c%12cnn(C)c%12)ccn%10%11)cc(-c%10ccc(F)cc%10C)n9)c8)ccn67)cc(-c6ccc(F)cc6F)n5)c4)ccn23)cc(-c2ccc(F)cc2F)n1.

What is the InChIKey of 3-[4-[3-[2-(2,4-difluorophenyl)-6-[3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propylsulfonylamino]-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propyl N-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?

The InChIKey is HFOVSFQMFLEWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H61F5N18O6S2/c1-4-22-105(100,101)91-70-29-50(26-64(88-70)59-11-8-56(77)34-61(59)79)67-40-82-74-33-48(15-20-97(67)74)54-38-86-95(44-54)17-6-23-106(102,103)92-71-30-51(27-65(89-71)60-12-9-57(78)35-62(60)80)68-41-83-73-32-47(14-19-98(68)73)53-37-85-94(43-53)16-5-21-104-75(99)90-69-28-49(25-63(87-69)58-10-7-55(76)24-45(58)2)66-39-81-72-31-46(13-18-96(66)72)52-36-84-93(3)42-52/h7-15,18-20,24-44H,4-6,16-17,21-23H2,1-3H3,(H,88,91)(H,89,92)(H,87,90,99).

What are the key properties of 3-[4-[3-[2-(2,4-difluorophenyl)-6-[3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propylsulfonylamino]-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propyl N-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?

3-[4-[3-[2-(2,4-difluorophenyl)-6-[3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propylsulfonylamino]-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propyl N-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate has a molecular weight of 1469.56 g/mol, XLogP of 14.57, 24 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-[2-(2,4-difluorophenyl)-6-[3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propylsulfonylamino]-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propyl N-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 167083174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).