4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide

C27H24ClFN4O6 — CID 152858501

IUPAC4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide
SMILESCOCCC(C(=O)Cc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnco2)cc1=O
InChIInChI=1S/C27H24ClFN4O6/c1-37-8-7-22(23(34)10-15-3-5-18(26(30)36)21(29)9-15)33-13-24(38-2)20(12-25(33)35)19-11-16(28)4-6-17(19)27-32-31-14-39-27/h3-6,9,11-14,22H,7-8,10H2,1-2H3,(H2,30,36)
InChIKeyTXBCGSKALBMQOI-UHFFFAOYSA-N
MW554.96 g/mol
LogP3.85
Rot. Bonds11

About 4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide

4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide (PubChem CID 152858501) has the molecular formula C27H24ClFN4O6 and a molecular weight of 554.96 g/mol. Its IUPAC name is 4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide
PubChem CID152858501
Molecular FormulaC27H24ClFN4O6
Molecular Weight554.96 g/mol
Exact Mass554.14
IUPAC Name4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide
SMILESCOCCC(C(=O)Cc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnco2)cc1=O
InChIInChI=1S/C27H24ClFN4O6/c1-37-8-7-22(23(34)10-15-3-5-18(26(30)36)21(29)9-15)33-13-24(38-2)20(12-25(33)35)19-11-16(28)4-6-17(19)27-32-31-14-39-27/h3-6,9,11-14,22H,7-8,10H2,1-2H3,(H2,30,36)
InChIKeyTXBCGSKALBMQOI-UHFFFAOYSA-N
XLogP3.85
TPSA139.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.96
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide?
The IUPAC name of 4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide (CID 152858501) is 4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide.
What is the SMILES notation for 4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide?
The canonical SMILES for 4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide is COCCC(C(=O)Cc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnco2)cc1=O.
What is the InChIKey of 4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide?
The InChIKey is TXBCGSKALBMQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O6/c1-37-8-7-22(23(34)10-15-3-5-18(26(30)36)21(29)9-15)33-13-24(38-2)20(12-25(33)35)19-11-16(28)4-6-17(19)27-32-31-14-39-27/h3-6,9,11-14,22H,7-8,10H2,1-2H3,(H2,30,36).
What are the key properties of 4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide?
4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide has a molecular weight of 554.96 g/mol, XLogP of 3.85, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide is sourced from PubChem (CID 152858501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).