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

C28H24ClF3N6O5 — CID 135205440

IUPAC2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide
SMILESCOCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)(F)F)o2)cc1=O
InChIInChI=1S/C28H24ClF3N6O5/c1-37-13-15-10-17(5-7-21(15)36-37)33-25(40)22(8-9-41-2)38-14-23(42-3)20(12-24(38)39)19-11-16(29)4-6-18(19)26-34-35-27(43-26)28(30,31)32/h4-7,10-14,22H,8-9H2,1-3H3,(H,33,40)
InChIKeyYOTPLZPCUXHOMZ-UHFFFAOYSA-N
MW616.98 g/mol
LogP5.35
Rot. Bonds9

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

2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide (PubChem CID 135205440) has the molecular formula C28H24ClF3N6O5 and a molecular weight of 616.98 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide.

Molecular Properties

Compound Name2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide
PubChem CID135205440
Molecular FormulaC28H24ClF3N6O5
Molecular Weight616.98 g/mol
Exact Mass616.14
IUPAC Name2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide
SMILESCOCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)(F)F)o2)cc1=O
InChIInChI=1S/C28H24ClF3N6O5/c1-37-13-15-10-17(5-7-21(15)36-37)33-25(40)22(8-9-41-2)38-14-23(42-3)20(12-24(38)39)19-11-16(29)4-6-18(19)26-34-35-27(43-26)28(30,31)32/h4-7,10-14,22H,8-9H2,1-3H3,(H,33,40)
InChIKeyYOTPLZPCUXHOMZ-UHFFFAOYSA-N
XLogP5.35
TPSA126.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.98
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
The IUPAC name of 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide (CID 135205440) is 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide.
What is the SMILES notation for 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
The canonical SMILES for 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide is COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)(F)F)o2)cc1=O.
What is the InChIKey of 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
The InChIKey is YOTPLZPCUXHOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClF3N6O5/c1-37-13-15-10-17(5-7-21(15)36-37)33-25(40)22(8-9-41-2)38-14-23(42-3)20(12-24(38)39)19-11-16(29)4-6-18(19)26-34-35-27(43-26)28(30,31)32/h4-7,10-14,22H,8-9H2,1-3H3,(H,33,40).
What are the key properties of 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide has a molecular weight of 616.98 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide is sourced from PubChem (CID 135205440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).