3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide

C26H26ClN3O — CID 83280156

IUPAC3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12
InChIInChI=1S/C26H26ClN3O/c1-18(2)16-28-25(31)15-13-23-26(20-8-11-22(27)12-9-20)29-24-14-10-21(17-30(23)24)19-6-4-3-5-7-19/h3-12,14,17-18H,13,15-16H2,1-2H3,(H,28,31)
InChIKeyFWFQOKUJNANSKL-UHFFFAOYSA-N
MW431.97 g/mol
LogP6.03
Rot. Bonds7

About 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide

3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide (PubChem CID 83280156) has the molecular formula C26H26ClN3O and a molecular weight of 431.97 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide
PubChem CID83280156
Molecular FormulaC26H26ClN3O
Molecular Weight431.97 g/mol
Exact Mass431.18
IUPAC Name3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12
InChIInChI=1S/C26H26ClN3O/c1-18(2)16-28-25(31)15-13-23-26(20-8-11-22(27)12-9-20)29-24-14-10-21(17-30(23)24)19-6-4-3-5-7-19/h3-12,14,17-18H,13,15-16H2,1-2H3,(H,28,31)
InChIKeyFWFQOKUJNANSKL-UHFFFAOYSA-N
XLogP6.03
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.97
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide (CID 83280156) is 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12.
What is the InChIKey of 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is FWFQOKUJNANSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O/c1-18(2)16-28-25(31)15-13-23-26(20-8-11-22(27)12-9-20)29-24-14-10-21(17-30(23)24)19-6-4-3-5-7-19/h3-12,14,17-18H,13,15-16H2,1-2H3,(H,28,31).
What are the key properties of 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide?
3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 431.97 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 83280156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).