2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide

C31H27ClN4O4 — CID 134323814

IUPAC2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide
SMILESCOc1cn(C(Cc2ccccc2)C(=O)Nc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1C(C)=O
InChIInChI=1S/C31H27ClN4O4/c1-19(37)24-11-9-22(32)15-25(24)26-16-30(38)36(18-29(26)40-3)28(13-20-7-5-4-6-8-20)31(39)33-23-10-12-27-21(14-23)17-35(2)34-27/h4-12,14-18,28H,13H2,1-3H3,(H,33,39)
InChIKeyFYRHGKHEIOPQCI-UHFFFAOYSA-N
MW555.03 g/mol
LogP5.69
Rot. Bonds8

About 2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide

2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide (PubChem CID 134323814) has the molecular formula C31H27ClN4O4 and a molecular weight of 555.03 g/mol. Its IUPAC name is 2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide
PubChem CID134323814
Molecular FormulaC31H27ClN4O4
Molecular Weight555.03 g/mol
Exact Mass554.17
IUPAC Name2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide
SMILESCOc1cn(C(Cc2ccccc2)C(=O)Nc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1C(C)=O
InChIInChI=1S/C31H27ClN4O4/c1-19(37)24-11-9-22(32)15-25(24)26-16-30(38)36(18-29(26)40-3)28(13-20-7-5-4-6-8-20)31(39)33-23-10-12-27-21(14-23)17-35(2)34-27/h4-12,14-18,28H,13H2,1-3H3,(H,33,39)
InChIKeyFYRHGKHEIOPQCI-UHFFFAOYSA-N
XLogP5.69
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.03
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide?
The IUPAC name of 2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide (CID 134323814) is 2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide?
The canonical SMILES for 2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide is COc1cn(C(Cc2ccccc2)C(=O)Nc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1C(C)=O.
What is the InChIKey of 2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide?
The InChIKey is FYRHGKHEIOPQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClN4O4/c1-19(37)24-11-9-22(32)15-25(24)26-16-30(38)36(18-29(26)40-3)28(13-20-7-5-4-6-8-20)31(39)33-23-10-12-27-21(14-23)17-35(2)34-27/h4-12,14-18,28H,13H2,1-3H3,(H,33,39).
What are the key properties of 2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide?
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide has a molecular weight of 555.03 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-phenylpropanamide is sourced from PubChem (CID 134323814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).