3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide

C28H28Cl2N4O2 — CID 83289188

IUPAC3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3Cl)cn12)NCCN1CCOCC1
InChIInChI=1S/C28H28Cl2N4O2/c29-22-8-5-20(6-9-22)28-25(10-12-27(35)31-13-14-33-15-17-36-18-16-33)34-19-21(7-11-26(34)32-28)23-3-1-2-4-24(23)30/h1-9,11,19H,10,12-18H2,(H,31,35)
InChIKeyXUGDDJHIMTWHRE-UHFFFAOYSA-N
MW523.46 g/mol
LogP5.36
Rot. Bonds8

About 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide

3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 83289188) has the molecular formula C28H28Cl2N4O2 and a molecular weight of 523.46 g/mol. Its IUPAC name is 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID83289188
Molecular FormulaC28H28Cl2N4O2
Molecular Weight523.46 g/mol
Exact Mass522.16
IUPAC Name3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3Cl)cn12)NCCN1CCOCC1
InChIInChI=1S/C28H28Cl2N4O2/c29-22-8-5-20(6-9-22)28-25(10-12-27(35)31-13-14-33-15-17-36-18-16-33)34-19-21(7-11-26(34)32-28)23-3-1-2-4-24(23)30/h1-9,11,19H,10,12-18H2,(H,31,35)
InChIKeyXUGDDJHIMTWHRE-UHFFFAOYSA-N
XLogP5.36
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.46
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Alpidem
CID 54897
Sa-(+)-(6-(Aminomethyl)-5-(2,4-Dichlorophenyl)-7-Methylimidazo[1,2-A]pyrimidin-2-Yl)(Morpholino)methanone
CID 11546261
2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenyl-acetamide
CID 11328255
1-{3-[6-Chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-yl]-1-oxopropyl}-4-(phenylmethyl)-4-piperidinol
CID 10142159
2-[8-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10738832
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(3-chlorophenyl)methyl]propanamide
CID 16009054
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 20867287
N-Butyl-2-[6-chloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-phenyl-acetamide
CID 11316920
4-(2-(4-Chlorophenyl)-3-(2-(dipropylamino)-2-oxoethyl)imidazo[1,2-a]pyridin-8-ylamino)-4-oxobutanoate
CID 25140760
3-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-1-(2-methoxyethyl)-1-methylurea
CID 155529389
N-butyl-2-(6,8-dichloro-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 10499752
3-(6-Chloro-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-propionamide
CID 10500210

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 83289188) is 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide is O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3Cl)cn12)NCCN1CCOCC1.
What is the InChIKey of 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is XUGDDJHIMTWHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N4O2/c29-22-8-5-20(6-9-22)28-25(10-12-27(35)31-13-14-33-15-17-36-18-16-33)34-19-21(7-11-26(34)32-28)23-3-1-2-4-24(23)30/h1-9,11,19H,10,12-18H2,(H,31,35).
What are the key properties of 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide?
3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 523.46 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 83289188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).