2-[[4-[3-[3-(2,4-difluorophenyl)-5-(ethylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide

C₅₁H₄₀F₄N₁₀O₄S₂ — CID 154972779

About 2-[[4-[3-[3-(2,4-difluorophenyl)-5-(ethylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide

2-[[4-[3-[3-(2,4-difluorophenyl)-5-(ethylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide (PubChem CID 154972779) has the molecular formula C₅₁H₄₀F₄N₁₀O₄S₂ and a molecular weight of 997.07 g/mol. Its IUPAC name is 2-[[4-[3-[3-(2,4-difluorophenyl)-5-(ethylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide.

Molecular Properties

• Compound Name: 2-[[4-[3-[3-(2,4-difluorophenyl)-5-(ethylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide
• PubChem CID: 154972779
• Molecular Formula: C₅₁H₄₀F₄N₁₀O₄S₂
• Molecular Weight: 997.07 g/mol
• Exact Mass: 996.26
• IUPAC Name: 2-[[4-[3-[3-(2,4-difluorophenyl)-5-(ethylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide
• SMILES: CCS(=O)(=O)Nc1cc(-c2ccc(F)cc2F)cc(-c2cnc3cc(-c4cnn(CC5CC5S(=O)(=O)Nc5cc(-c6ccc(F)cc6F)cc(-c6cnc7cc(-c8cnn(C)c8)ccn67)c5)c4)ccn23)c1
• InChI: InChI=1S/C51H40F4N10O4S2/c1-3-70(66,67)60-41-14-32(43-6-4-39(52)21-45(43)54)12-34(16-41)47-25-57-51-20-31(9-11-65(47)51)38-24-59-63(29-38)28-36-18-49(36)71(68,69)61-42-15-33(44-7-5-40(53)22-46(44)55)13-35(17-42)48-26-56-50-19-30(8-10-64(48)50)37-23-58-62(2)27-37/h4-17,19-27,29,36,49,60-61H,3,18,28H2,1-2H3
• InChIKey: TWOQNPYBIDJFEM-UHFFFAOYSA-N
• XLogP: 10.06
• TPSA: 162.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	997.07
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-[3-(2,4-difluorophenyl)-5-(ethylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide?

The IUPAC name of 2-[[4-[3-[3-(2,4-difluorophenyl)-5-(ethylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide (CID 154972779) is 2-[[4-[3-[3-(2,4-difluorophenyl)-5-(ethylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide.

What is the SMILES notation for 2-[[4-[3-[3-(2,4-difluorophenyl)-5-(ethylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide?

The canonical SMILES for 2-[[4-[3-[3-(2,4-difluorophenyl)-5-(ethylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide is CCS(=O)(=O)Nc1cc(-c2ccc(F)cc2F)cc(-c2cnc3cc(-c4cnn(CC5CC5S(=O)(=O)Nc5cc(-c6ccc(F)cc6F)cc(-c6cnc7cc(-c8cnn(C)c8)ccn67)c5)c4)ccn23)c1.

What is the InChIKey of 2-[[4-[3-[3-(2,4-difluorophenyl)-5-(ethylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide?

The InChIKey is TWOQNPYBIDJFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40F4N10O4S2/c1-3-70(66,67)60-41-14-32(43-6-4-39(52)21-45(43)54)12-34(16-41)47-25-57-51-20-31(9-11-65(47)51)38-24-59-63(29-38)28-36-18-49(36)71(68,69)61-42-15-33(44-7-5-40(53)22-46(44)55)13-35(17-42)48-26-56-50-19-30(8-10-64(48)50)37-23-58-62(2)27-37/h4-17,19-27,29,36,49,60-61H,3,18,28H2,1-2H3.

What are the key properties of 2-[[4-[3-[3-(2,4-difluorophenyl)-5-(ethylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide?

2-[[4-[3-[3-(2,4-difluorophenyl)-5-(ethylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide has a molecular weight of 997.07 g/mol, XLogP of 10.06, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[3-[3-(2,4-difluorophenyl)-5-(ethylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 154972779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154972779 — identifiers, structure, computed properties (public domain)

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