[1-[[2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamic acid

C26H27F5N4O4 — CID 121434565

About [1-[[2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamic acid

[1-[[2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamic acid (PubChem CID 121434565) has the molecular formula C26H27F5N4O4 and a molecular weight of 554.52 g/mol. Its IUPAC name is [1-[[2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[[2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamic acid
• PubChem CID: 121434565
• Molecular Formula: C26H27F5N4O4
• Molecular Weight: 554.52 g/mol
• Exact Mass: 554.20
• IUPAC Name: [1-[[2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamic acid
• SMILES: Cc1cc(OCc2c(F)cccc2F)n2nc(C3CC3)c(C(=O)NCC(C)(CCC(F)(F)F)NC(=O)O)c2c1
• InChI: InChI=1S/C26H27F5N4O4/c1-14-10-19-21(23(36)32-13-25(2,33-24(37)38)8-9-26(29,30)31)22(15-6-7-15)34-35(19)20(11-14)39-12-16-17(27)4-3-5-18(16)28/h3-5,10-11,15,33H,6-9,12-13H2,1-2H3,(H,32,36)(H,37,38)
• InChIKey: GUXZIQGWGFYVFS-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 104.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.52
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[[2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamic acid?

The IUPAC name of [1-[[2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamic acid (CID 121434565) is [1-[[2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamic acid.

What is the SMILES notation for [1-[[2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamic acid?

The canonical SMILES for [1-[[2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamic acid is Cc1cc(OCc2c(F)cccc2F)n2nc(C3CC3)c(C(=O)NCC(C)(CCC(F)(F)F)NC(=O)O)c2c1.

What is the InChIKey of [1-[[2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamic acid?

The InChIKey is GUXZIQGWGFYVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F5N4O4/c1-14-10-19-21(23(36)32-13-25(2,33-24(37)38)8-9-26(29,30)31)22(15-6-7-15)34-35(19)20(11-14)39-12-16-17(27)4-3-5-18(16)28/h3-5,10-11,15,33H,6-9,12-13H2,1-2H3,(H,32,36)(H,37,38).

What are the key properties of [1-[[2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamic acid?

[1-[[2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamic acid has a molecular weight of 554.52 g/mol, XLogP of 5.48, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamic acid is sourced from PubChem (CID 121434565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).