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

C25H21Cl2N5O4 — CID 118054848

IUPAC2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)-4-methoxybutanamide
SMILESCOCCC(C(=O)Nc1ccn2ncc(Cl)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C25H21Cl2N5O4/c1-35-8-6-21(25(34)30-17-5-7-32-22(10-17)20(27)13-29-32)31-14-23(36-2)19(11-24(31)33)18-9-16(26)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H,30,34)
InChIKeyULIBXHPBQUNUJM-UHFFFAOYSA-N
MW526.38 g/mol
LogP4.57
Rot. Bonds8

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

2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)-4-methoxybutanamide (PubChem CID 118054848) has the molecular formula C25H21Cl2N5O4 and a molecular weight of 526.38 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)-4-methoxybutanamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)-4-methoxybutanamide
PubChem CID118054848
Molecular FormulaC25H21Cl2N5O4
Molecular Weight526.38 g/mol
Exact Mass525.10
IUPAC Name2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)-4-methoxybutanamide
SMILESCOCCC(C(=O)Nc1ccn2ncc(Cl)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C25H21Cl2N5O4/c1-35-8-6-21(25(34)30-17-5-7-32-22(10-17)20(27)13-29-32)31-14-23(36-2)19(11-24(31)33)18-9-16(26)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H,30,34)
InChIKeyULIBXHPBQUNUJM-UHFFFAOYSA-N
XLogP4.57
TPSA110.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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)-4-methoxybutanamide?
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)-4-methoxybutanamide (CID 118054848) is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)-4-methoxybutanamide.
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)-4-methoxybutanamide?
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)-4-methoxybutanamide is COCCC(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)-4-methoxybutanamide?
The InChIKey is ULIBXHPBQUNUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N5O4/c1-35-8-6-21(25(34)30-17-5-7-32-22(10-17)20(27)13-29-32)31-14-23(36-2)19(11-24(31)33)18-9-16(26)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H,30,34).
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)-4-methoxybutanamide?
2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-chloropyrazolo[1,5-a]pyridin-5-yl)-4-methoxybutanamide has a molecular weight of 526.38 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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)-4-methoxybutanamide is sourced from PubChem (CID 118054848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).