2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide

C30H32Cl2N6O2 — CID 67645293

IUPAC2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.NC(=O)Cc1cnc2ccccn12
InChIInChI=1S/C21H23Cl2N3O.C9H9N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19;10-8(13)5-7-6-11-9-3-1-2-4-12(7)9/h5-10,14H,3-4,11-13H2,1-2H3;1-4,6H,5H2,(H2,10,13)
InChIKeyHRRRQQWLDWCGBL-UHFFFAOYSA-N
MW579.53 g/mol
LogP5.86
Rot. Bonds9

About 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide

2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide (PubChem CID 67645293) has the molecular formula C30H32Cl2N6O2 and a molecular weight of 579.53 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide
PubChem CID67645293
Molecular FormulaC30H32Cl2N6O2
Molecular Weight579.53 g/mol
Exact Mass578.20
IUPAC Name2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.NC(=O)Cc1cnc2ccccn12
InChIInChI=1S/C21H23Cl2N3O.C9H9N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19;10-8(13)5-7-6-11-9-3-1-2-4-12(7)9/h5-10,14H,3-4,11-13H2,1-2H3;1-4,6H,5H2,(H2,10,13)
InChIKeyHRRRQQWLDWCGBL-UHFFFAOYSA-N
XLogP5.86
TPSA98.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.53
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide?
The IUPAC name of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide (CID 67645293) is 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide.
What is the SMILES notation for 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide?
The canonical SMILES for 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.NC(=O)Cc1cnc2ccccn12.
What is the InChIKey of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide?
The InChIKey is HRRRQQWLDWCGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O.C9H9N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19;10-8(13)5-7-6-11-9-3-1-2-4-12(7)9/h5-10,14H,3-4,11-13H2,1-2H3;1-4,6H,5H2,(H2,10,13).
What are the key properties of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide?
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide has a molecular weight of 579.53 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide is sourced from PubChem (CID 67645293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).