N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide

C25H24F4N6O3 — CID 156891752

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide (PubChem CID 156891752) has the molecular formula C25H24F4N6O3 and a molecular weight of 532.50 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide
• PubChem CID: 156891752
• Molecular Formula: C25H24F4N6O3
• Molecular Weight: 532.50 g/mol
• Exact Mass: 532.18
• IUPAC Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide
• SMILES: O=C(N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc(F)c1)C1(F)CN(C2CN(C3COC3)C2)C1
• InChI: InChI=1S/C25H24F4N6O3/c26-16-2-1-3-18(6-16)35(8-17-5-4-15(7-30-17)22-31-32-23(38-22)21(27)28)24(36)25(29)13-34(14-25)19-9-33(10-19)20-11-37-12-20/h1-7,19-21H,8-14H2
• InChIKey: PBTHAEBSJRJBDJ-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 87.83 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.50
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide?

The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide (CID 156891752) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide.

What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide?

The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide is O=C(N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc(F)c1)C1(F)CN(C2CN(C3COC3)C2)C1.

What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide?

The InChIKey is PBTHAEBSJRJBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N6O3/c26-16-2-1-3-18(6-16)35(8-17-5-4-15(7-30-17)22-31-32-23(38-22)21(27)28)24(36)25(29)13-34(14-25)19-9-33(10-19)20-11-37-12-20/h1-7,19-21H,8-14H2.

What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide?

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide has a molecular weight of 532.50 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide is sourced from PubChem (CID 156891752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).