N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide

C19H21ClN4O3 — CID 135335172

IUPACN-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide
SMILESCOc1cc(OC)c(-c2cn3ccc(NCCNC(C)=O)cc3n2)cc1Cl
InChIInChI=1S/C19H21ClN4O3/c1-12(25)21-5-6-22-13-4-7-24-11-16(23-19(24)8-13)14-9-15(20)18(27-3)10-17(14)26-2/h4,7-11,22H,5-6H2,1-3H3,(H,21,25)
InChIKeyMKXGBNSOSGQYHU-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.22
Rot. Bonds7

About N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide

N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide (PubChem CID 135335172) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide
PubChem CID135335172
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC NameN-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide
SMILESCOc1cc(OC)c(-c2cn3ccc(NCCNC(C)=O)cc3n2)cc1Cl
InChIInChI=1S/C19H21ClN4O3/c1-12(25)21-5-6-22-13-4-7-24-11-16(23-19(24)8-13)14-9-15(20)18(27-3)10-17(14)26-2/h4,7-11,22H,5-6H2,1-3H3,(H,21,25)
InChIKeyMKXGBNSOSGQYHU-UHFFFAOYSA-N
XLogP3.22
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide (CID 135335172) is N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide is COc1cc(OC)c(-c2cn3ccc(NCCNC(C)=O)cc3n2)cc1Cl.
What is the InChIKey of N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide?
The InChIKey is MKXGBNSOSGQYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-12(25)21-5-6-22-13-4-7-24-11-16(23-19(24)8-13)14-9-15(20)18(27-3)10-17(14)26-2/h4,7-11,22H,5-6H2,1-3H3,(H,21,25).
What are the key properties of N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide?
N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide has a molecular weight of 388.86 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide is sourced from PubChem (CID 135335172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).