2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide

C27H23ClF2N6O4 — CID 135205941

About 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide

2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide (PubChem CID 135205941) has the molecular formula C27H23ClF2N6O4 and a molecular weight of 568.97 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide.

Molecular Properties

• Compound Name: 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
• PubChem CID: 135205941
• Molecular Formula: C27H23ClF2N6O4
• Molecular Weight: 568.97 g/mol
• Exact Mass: 568.14
• IUPAC Name: 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
• SMILES: CCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)F)o2)cc1=O
• InChI: InChI=1S/C27H23ClF2N6O4/c1-4-21(25(38)31-16-6-8-20-14(9-16)12-35(2)34-20)36-13-22(39-3)19(11-23(36)37)18-10-15(28)5-7-17(18)26-32-33-27(40-26)24(29)30/h5-13,21,24H,4H2,1-3H3,(H,31,38)
• InChIKey: HUAFIQJRZLYLOU-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 117.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.97
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide?

The IUPAC name of 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide (CID 135205941) is 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide.

What is the SMILES notation for 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide?

The canonical SMILES for 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide is CCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)F)o2)cc1=O.

What is the InChIKey of 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide?

The InChIKey is HUAFIQJRZLYLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClF2N6O4/c1-4-21(25(38)31-16-6-8-20-14(9-16)12-35(2)34-20)36-13-22(39-3)19(11-23(36)37)18-10-15(28)5-7-17(18)26-32-33-27(40-26)24(29)30/h5-13,21,24H,4H2,1-3H3,(H,31,38).

What are the key properties of 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide?

2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide has a molecular weight of 568.97 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide is sourced from PubChem (CID 135205941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).