N-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

C21H15Cl3N4O2 — CID 24944669

IUPACN-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCOc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CC(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C21H15Cl3N4O2/c1-30-14-6-4-12(5-7-14)19-17(28-11-13(22)9-15(23)21(28)27-19)10-18(29)26-16-3-2-8-25-20(16)24/h2-9,11H,10H2,1H3,(H,26,29)
InChIKeyLZLDLFXMIDMYIF-UHFFFAOYSA-N
MW461.74 g/mol
LogP5.55
Rot. Bonds5

About N-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

N-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (PubChem CID 24944669) has the molecular formula C21H15Cl3N4O2 and a molecular weight of 461.74 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
PubChem CID24944669
Molecular FormulaC21H15Cl3N4O2
Molecular Weight461.74 g/mol
Exact Mass460.03
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCOc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CC(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C21H15Cl3N4O2/c1-30-14-6-4-12(5-7-14)19-17(28-11-13(22)9-15(23)21(28)27-19)10-18(29)26-16-3-2-8-25-20(16)24/h2-9,11H,10H2,1H3,(H,26,29)
InChIKeyLZLDLFXMIDMYIF-UHFFFAOYSA-N
XLogP5.55
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.74
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (CID 24944669) is N-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is COc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CC(=O)Nc2cccnc2Cl)cc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The InChIKey is LZLDLFXMIDMYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3N4O2/c1-30-14-6-4-12(5-7-14)19-17(28-11-13(22)9-15(23)21(28)27-19)10-18(29)26-16-3-2-8-25-20(16)24/h2-9,11H,10H2,1H3,(H,26,29).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
N-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide has a molecular weight of 461.74 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 24944669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).