2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide

C30H23ClFN5O3 — CID 118054840

IUPAC2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide
SMILESCCC(C(=O)Nc1ccc2nc(-c3ccc(F)cc3)cn2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C30H23ClFN5O3/c1-3-26(37-17-27(40-2)24(13-29(37)38)23-12-20(31)7-4-19(23)14-33)30(39)34-22-10-11-28-35-25(16-36(28)15-22)18-5-8-21(32)9-6-18/h4-13,15-17,26H,3H2,1-2H3,(H,34,39)
InChIKeyFOSCGLGAFGYBBL-UHFFFAOYSA-N
MW556.00 g/mol
LogP6.09
Rot. Bonds7

About 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide

2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide (PubChem CID 118054840) has the molecular formula C30H23ClFN5O3 and a molecular weight of 556.00 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide
PubChem CID118054840
Molecular FormulaC30H23ClFN5O3
Molecular Weight556.00 g/mol
Exact Mass555.15
IUPAC Name2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide
SMILESCCC(C(=O)Nc1ccc2nc(-c3ccc(F)cc3)cn2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C30H23ClFN5O3/c1-3-26(37-17-27(40-2)24(13-29(37)38)23-12-20(31)7-4-19(23)14-33)30(39)34-22-10-11-28-35-25(16-36(28)15-22)18-5-8-21(32)9-6-18/h4-13,15-17,26H,3H2,1-2H3,(H,34,39)
InChIKeyFOSCGLGAFGYBBL-UHFFFAOYSA-N
XLogP6.09
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.00
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide?
The IUPAC name of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide (CID 118054840) is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide.
What is the SMILES notation for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide?
The canonical SMILES for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide is CCC(C(=O)Nc1ccc2nc(-c3ccc(F)cc3)cn2c1)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-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide?
The InChIKey is FOSCGLGAFGYBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClFN5O3/c1-3-26(37-17-27(40-2)24(13-29(37)38)23-12-20(31)7-4-19(23)14-33)30(39)34-22-10-11-28-35-25(16-36(28)15-22)18-5-8-21(32)9-6-18/h4-13,15-17,26H,3H2,1-2H3,(H,34,39).
What are the key properties of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide?
2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide has a molecular weight of 556.00 g/mol, XLogP of 6.09, 7 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-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]butanamide is sourced from PubChem (CID 118054840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).