6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-3-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide

C25H26F3N5O3 — CID 142797162

About 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-3-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-3-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide (PubChem CID 142797162) has the molecular formula C25H26F3N5O3 and a molecular weight of 501.51 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-3-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-3-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide
• PubChem CID: 142797162
• Molecular Formula: C25H26F3N5O3
• Molecular Weight: 501.51 g/mol
• Exact Mass: 501.20
• IUPAC Name: 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-3-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide
• SMILES: CC(C)(Cc1nnc(-c2ccc(F)cc2)o1)c1cc(N2CC(F)(F)C2)c(OCC2CC2)nc1C(N)=O
• InChI: InChI=1S/C25H26F3N5O3/c1-24(2,10-19-31-32-22(36-19)15-5-7-16(26)8-6-15)17-9-18(33-12-25(27,28)13-33)23(30-20(17)21(29)34)35-11-14-3-4-14/h5-9,14H,3-4,10-13H2,1-2H3,(H2,29,34)
• InChIKey: ZQQMVOBRTSWBJH-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 107.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.51
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-3-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide?

The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-3-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide (CID 142797162) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-3-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-3-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-3-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide is CC(C)(Cc1nnc(-c2ccc(F)cc2)o1)c1cc(N2CC(F)(F)C2)c(OCC2CC2)nc1C(N)=O.

What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-3-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide?

The InChIKey is ZQQMVOBRTSWBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O3/c1-24(2,10-19-31-32-22(36-19)15-5-7-16(26)8-6-15)17-9-18(33-12-25(27,28)13-33)23(30-20(17)21(29)34)35-11-14-3-4-14/h5-9,14H,3-4,10-13H2,1-2H3,(H2,29,34).

What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-3-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide?

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-3-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide has a molecular weight of 501.51 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-3-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 142797162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).