2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide

C24H19Cl2N5O3 — CID 118054798

IUPAC2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide
SMILESCCC(C(=O)Nc1ccn2ncc(Cl)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C24H19Cl2N5O3/c1-3-20(24(33)29-16-6-7-31-21(9-16)19(26)12-28-31)30-13-22(34-2)18(10-23(30)32)17-8-15(25)5-4-14(17)11-27/h4-10,12-13,20H,3H2,1-2H3,(H,29,33)
InChIKeyYITCBZJHSBAOAD-UHFFFAOYSA-N
MW496.35 g/mol
LogP4.94
Rot. Bonds6

About 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide

2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide (PubChem CID 118054798) has the molecular formula C24H19Cl2N5O3 and a molecular weight of 496.35 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide
PubChem CID118054798
Molecular FormulaC24H19Cl2N5O3
Molecular Weight496.35 g/mol
Exact Mass495.09
IUPAC Name2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide
SMILESCCC(C(=O)Nc1ccn2ncc(Cl)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C24H19Cl2N5O3/c1-3-20(24(33)29-16-6-7-31-21(9-16)19(26)12-28-31)30-13-22(34-2)18(10-23(30)32)17-8-15(25)5-4-14(17)11-27/h4-10,12-13,20H,3H2,1-2H3,(H,29,33)
InChIKeyYITCBZJHSBAOAD-UHFFFAOYSA-N
XLogP4.94
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide?
The IUPAC name of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide (CID 118054798) is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide.
What is the SMILES notation for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide?
The canonical SMILES for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide is CCC(C(=O)Nc1ccn2ncc(Cl)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O.
What is the InChIKey of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide?
The InChIKey is YITCBZJHSBAOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N5O3/c1-3-20(24(33)29-16-6-7-31-21(9-16)19(26)12-28-31)30-13-22(34-2)18(10-23(30)32)17-8-15(25)5-4-14(17)11-27/h4-10,12-13,20H,3H2,1-2H3,(H,29,33).
What are the key properties of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide?
2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide has a molecular weight of 496.35 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)butanamide is sourced from PubChem (CID 118054798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).