2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide

C25H22ClN5O4 — CID 91755035

IUPAC2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide
SMILESCOCCC(C(=O)Nc1ccn2nccc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C25H22ClN5O4/c1-34-10-7-22(25(33)29-18-6-9-31-19(12-18)5-8-28-31)30-15-23(35-2)21(13-24(30)32)20-11-17(26)4-3-16(20)14-27/h3-6,8-9,11-13,15,22H,7,10H2,1-2H3,(H,29,33)
InChIKeyJREFSUNTZCXDKL-UHFFFAOYSA-N
MW491.94 g/mol
LogP3.91
Rot. Bonds8

About 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide

2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide (PubChem CID 91755035) has the molecular formula C25H22ClN5O4 and a molecular weight of 491.94 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide
PubChem CID91755035
Molecular FormulaC25H22ClN5O4
Molecular Weight491.94 g/mol
Exact Mass491.14
IUPAC Name2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide
SMILESCOCCC(C(=O)Nc1ccn2nccc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C25H22ClN5O4/c1-34-10-7-22(25(33)29-18-6-9-31-19(12-18)5-8-28-31)30-15-23(35-2)21(13-24(30)32)20-11-17(26)4-3-16(20)14-27/h3-6,8-9,11-13,15,22H,7,10H2,1-2H3,(H,29,33)
InChIKeyJREFSUNTZCXDKL-UHFFFAOYSA-N
XLogP3.91
TPSA110.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.94
LogP ≤ 53.91
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]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide?
The IUPAC name of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide (CID 91755035) is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide.
What is the SMILES notation for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide?
The canonical SMILES for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide is COCCC(C(=O)Nc1ccn2nccc2c1)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]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide?
The InChIKey is JREFSUNTZCXDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O4/c1-34-10-7-22(25(33)29-18-6-9-31-19(12-18)5-8-28-31)30-15-23(35-2)21(13-24(30)32)20-11-17(26)4-3-16(20)14-27/h3-6,8-9,11-13,15,22H,7,10H2,1-2H3,(H,29,33).
What are the key properties of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide?
2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide has a molecular weight of 491.94 g/mol, XLogP of 3.91, 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]-4-methoxy-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide is sourced from PubChem (CID 91755035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).