3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide

C26H29F5N8O3 — CID 170173648

About 3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide

3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 170173648) has the molecular formula C26H29F5N8O3 and a molecular weight of 596.56 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
• PubChem CID: 170173648
• Molecular Formula: C26H29F5N8O3
• Molecular Weight: 596.56 g/mol
• Exact Mass: 596.23
• IUPAC Name: 3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
• SMILES: CC(O)C(=O)N1CCC(N2CC(n3cc(-c4ccc(-c5cnn(CC(F)(F)F)c5)nc4C(N)=O)c(C(F)F)n3)C2)CC1
• InChI: InChI=1S/C26H29F5N8O3/c1-14(40)25(42)36-6-4-16(5-7-36)37-10-17(11-37)39-12-19(21(35-39)23(27)28)18-2-3-20(34-22(18)24(32)41)15-8-33-38(9-15)13-26(29,30)31/h2-3,8-9,12,14,16-17,23,40H,4-7,10-11,13H2,1H3,(H2,32,41)
• InChIKey: AUZGBVHYMYIYDX-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 135.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.56
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?

The IUPAC name of 3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 170173648) is 3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for 3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?

The canonical SMILES for 3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is CC(O)C(=O)N1CCC(N2CC(n3cc(-c4ccc(-c5cnn(CC(F)(F)F)c5)nc4C(N)=O)c(C(F)F)n3)C2)CC1.

What is the InChIKey of 3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?

The InChIKey is AUZGBVHYMYIYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F5N8O3/c1-14(40)25(42)36-6-4-16(5-7-36)37-10-17(11-37)39-12-19(21(35-39)23(27)28)18-2-3-20(34-22(18)24(32)41)15-8-33-38(9-15)13-26(29,30)31/h2-3,8-9,12,14,16-17,23,40H,4-7,10-11,13H2,1H3,(H2,32,41).

What are the key properties of 3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?

3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 596.56 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(difluoromethyl)-1-[1-[1-(2-hydroxypropanoyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 170173648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).