[2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate

C₂₄H₂₆F₃N₃O₅S — CID 155727543

About [2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate

[2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate (PubChem CID 155727543) has the molecular formula C₂₄H₂₆F₃N₃O₅S and a molecular weight of 525.55 g/mol. Its IUPAC name is [2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate.

Molecular Properties

• Compound Name: [2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate
• PubChem CID: 155727543
• Molecular Formula: C₂₄H₂₆F₃N₃O₅S
• Molecular Weight: 525.55 g/mol
• Exact Mass: 525.15
• IUPAC Name: [2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate
• SMILES: COc1cc(-c2cnn3cc(C(C)(C)COS(C)=O)ccc23)cc(OC(F)F)c1C(=O)NC1CC1F
• InChI: InChI=1S/C24H26F3N3O5S/c1-24(2,12-34-36(4)32)14-5-6-18-15(10-28-30(18)11-14)13-7-19(33-3)21(20(8-13)35-23(26)27)22(31)29-17-9-16(17)25/h5-8,10-11,16-17,23H,9,12H2,1-4H3,(H,29,31)
• InChIKey: YXEWOCQIUCOZLK-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.55
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate?

The IUPAC name of [2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate (CID 155727543) is [2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate.

What is the SMILES notation for [2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate?

The canonical SMILES for [2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate is COc1cc(-c2cnn3cc(C(C)(C)COS(C)=O)ccc23)cc(OC(F)F)c1C(=O)NC1CC1F.

What is the InChIKey of [2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate?

The InChIKey is YXEWOCQIUCOZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O5S/c1-24(2,12-34-36(4)32)14-5-6-18-15(10-28-30(18)11-14)13-7-19(33-3)21(20(8-13)35-23(26)27)22(31)29-17-9-16(17)25/h5-8,10-11,16-17,23H,9,12H2,1-4H3,(H,29,31).

What are the key properties of [2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate?

[2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate has a molecular weight of 525.55 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate is sourced from PubChem (CID 155727543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155727543 — identifiers, structure, computed properties (public domain)

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