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

C24H20ClN5O3 — CID 118054784

IUPAC2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide
SMILESCCC(C(=O)Nc1ccn2nccc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C24H20ClN5O3/c1-3-21(24(32)28-17-7-9-30-18(11-17)6-8-27-30)29-14-22(33-2)20(12-23(29)31)19-10-16(25)5-4-15(19)13-26/h4-12,14,21H,3H2,1-2H3,(H,28,32)
InChIKeyFAEMQZRJJSMJID-UHFFFAOYSA-N
MW461.91 g/mol
LogP4.29
Rot. Bonds6

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

2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide (PubChem CID 118054784) has the molecular formula C24H20ClN5O3 and a molecular weight of 461.91 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide
PubChem CID118054784
Molecular FormulaC24H20ClN5O3
Molecular Weight461.91 g/mol
Exact Mass461.13
IUPAC Name2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide
SMILESCCC(C(=O)Nc1ccn2nccc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C24H20ClN5O3/c1-3-21(24(32)28-17-7-9-30-18(11-17)6-8-27-30)29-14-22(33-2)20(12-23(29)31)19-10-16(25)5-4-15(19)13-26/h4-12,14,21H,3H2,1-2H3,(H,28,32)
InChIKeyFAEMQZRJJSMJID-UHFFFAOYSA-N
XLogP4.29
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 54.29
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-pyrazolo[1,5-a]pyridin-5-ylbutanamide?
The IUPAC name of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide (CID 118054784) is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-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]-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide?
The canonical SMILES for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide is CCC(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]-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide?
The InChIKey is FAEMQZRJJSMJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3/c1-3-21(24(32)28-17-7-9-30-18(11-17)6-8-27-30)29-14-22(33-2)20(12-23(29)31)19-10-16(25)5-4-15(19)13-26/h4-12,14,21H,3H2,1-2H3,(H,28,32).
What are the key properties of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide?
2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide has a molecular weight of 461.91 g/mol, XLogP of 4.29, 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-pyrazolo[1,5-a]pyridin-5-ylbutanamide is sourced from PubChem (CID 118054784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).