5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid

C25H20ClN5O5 — CID 121246714

IUPAC5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCCC(C(=O)Nc1ccn2ncc(C(=O)O)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C25H20ClN5O5/c1-3-20(24(33)29-16-6-7-31-21(9-16)19(12-28-31)25(34)35)30-13-22(36-2)18(10-23(30)32)17-8-15(26)5-4-14(17)11-27/h4-10,12-13,20H,3H2,1-2H3,(H,29,33)(H,34,35)
InChIKeyXPDGYJOFZSUFCY-UHFFFAOYSA-N
MW505.92 g/mol
LogP3.98
Rot. Bonds7

About 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid

5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 121246714) has the molecular formula C25H20ClN5O5 and a molecular weight of 505.92 g/mol. Its IUPAC name is 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID121246714
Molecular FormulaC25H20ClN5O5
Molecular Weight505.92 g/mol
Exact Mass505.12
IUPAC Name5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCCC(C(=O)Nc1ccn2ncc(C(=O)O)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C25H20ClN5O5/c1-3-20(24(33)29-16-6-7-31-21(9-16)19(12-28-31)25(34)35)30-13-22(36-2)18(10-23(30)32)17-8-15(26)5-4-14(17)11-27/h4-10,12-13,20H,3H2,1-2H3,(H,29,33)(H,34,35)
InChIKeyXPDGYJOFZSUFCY-UHFFFAOYSA-N
XLogP3.98
TPSA138.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.92
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 121246714) is 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid is CCC(C(=O)Nc1ccn2ncc(C(=O)O)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O.
What is the InChIKey of 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is XPDGYJOFZSUFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O5/c1-3-20(24(33)29-16-6-7-31-21(9-16)19(12-28-31)25(34)35)30-13-22(36-2)18(10-23(30)32)17-8-15(26)5-4-14(17)11-27/h4-10,12-13,20H,3H2,1-2H3,(H,29,33)(H,34,35).
What are the key properties of 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 505.92 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 121246714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).