5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[2-methyl-5-[5-(trifluoromethoxy)pyrimidin-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C26H22F5N7O3 — CID 175682846

About 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[2-methyl-5-[5-(trifluoromethoxy)pyrimidin-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[2-methyl-5-[5-(trifluoromethoxy)pyrimidin-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175682846) has the molecular formula C26H22F5N7O3 and a molecular weight of 575.50 g/mol. Its IUPAC name is 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[2-methyl-5-[5-(trifluoromethoxy)pyrimidin-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[2-methyl-5-[5-(trifluoromethoxy)pyrimidin-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 175682846
• Molecular Formula: C26H22F5N7O3
• Molecular Weight: 575.50 g/mol
• Exact Mass: 575.17
• IUPAC Name: 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[2-methyl-5-[5-(trifluoromethoxy)pyrimidin-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ncc(-c2ncc(OC(F)(F)F)cn2)cc1NC(=O)c1cnn2ccc(N3CC4(C3)CC(O)(C(F)F)C4)cc12
• InChI: InChI=1S/C26H22F5N7O3/c1-14-19(4-15(6-32-14)21-33-7-17(8-34-21)41-26(29,30)31)36-22(39)18-9-35-38-3-2-16(5-20(18)38)37-12-24(13-37)10-25(40,11-24)23(27)28/h2-9,23,40H,10-13H2,1H3,(H,36,39)
• InChIKey: WKBADKFAQSNZJP-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 117.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.50
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[2-methyl-5-[5-(trifluoromethoxy)pyrimidin-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[2-methyl-5-[5-(trifluoromethoxy)pyrimidin-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 175682846) is 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[2-methyl-5-[5-(trifluoromethoxy)pyrimidin-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[2-methyl-5-[5-(trifluoromethoxy)pyrimidin-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[2-methyl-5-[5-(trifluoromethoxy)pyrimidin-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ncc(-c2ncc(OC(F)(F)F)cn2)cc1NC(=O)c1cnn2ccc(N3CC4(C3)CC(O)(C(F)F)C4)cc12.

What is the InChIKey of 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[2-methyl-5-[5-(trifluoromethoxy)pyrimidin-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is WKBADKFAQSNZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F5N7O3/c1-14-19(4-15(6-32-14)21-33-7-17(8-34-21)41-26(29,30)31)36-22(39)18-9-35-38-3-2-16(5-20(18)38)37-12-24(13-37)10-25(40,11-24)23(27)28/h2-9,23,40H,10-13H2,1H3,(H,36,39).

What are the key properties of 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[2-methyl-5-[5-(trifluoromethoxy)pyrimidin-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[2-methyl-5-[5-(trifluoromethoxy)pyrimidin-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 575.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[2-methyl-5-[5-(trifluoromethoxy)pyrimidin-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175682846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).