3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide

C26H26ClN3O — CID 95056650

IUPAC3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C26H26ClN3O/c1-19(10-11-20-7-3-2-4-8-20)28-25(31)17-16-23-26(21-12-14-22(27)15-13-21)29-24-9-5-6-18-30(23)24/h2-9,12-15,18-19H,10-11,16-17H2,1H3,(H,28,31)/t19-/m1/s1
InChIKeyXNOLNQVRKYCPEW-LJQANCHMSA-N
MW431.97 g/mol
LogP5.72
Rot. Bonds8

About 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide

3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide (PubChem CID 95056650) has the molecular formula C26H26ClN3O and a molecular weight of 431.97 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
PubChem CID95056650
Molecular FormulaC26H26ClN3O
Molecular Weight431.97 g/mol
Exact Mass431.18
IUPAC Name3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C26H26ClN3O/c1-19(10-11-20-7-3-2-4-8-20)28-25(31)17-16-23-26(21-12-14-22(27)15-13-21)29-24-9-5-6-18-30(23)24/h2-9,12-15,18-19H,10-11,16-17H2,1H3,(H,28,31)/t19-/m1/s1
InChIKeyXNOLNQVRKYCPEW-LJQANCHMSA-N
XLogP5.72
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.97
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-phenylbutan-2-yl)propanamide
CID 53036628
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-phenylbutan-2-yl)propanamide
CID 53118637
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methylphenyl)propanamide
CID 53036610
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-fluorophenyl)propanamide
CID 20974346
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 53118599
4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
CID 70025253
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 53036623
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 53036640
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53036596
N-(5-chloro-2-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036573
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 53036597
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 121038517

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide (CID 95056650) is 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide is C[C@H](CCc1ccccc1)NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn12.
What is the InChIKey of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The InChIKey is XNOLNQVRKYCPEW-LJQANCHMSA-N. The full InChI is InChI=1S/C26H26ClN3O/c1-19(10-11-20-7-3-2-4-8-20)28-25(31)17-16-23-26(21-12-14-22(27)15-13-21)29-24-9-5-6-18-30(23)24/h2-9,12-15,18-19H,10-11,16-17H2,1H3,(H,28,31)/t19-/m1/s1.
What are the key properties of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide has a molecular weight of 431.97 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 95056650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).