2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid

C19H21ClN4O5 — CID 135335103

IUPAC2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid
SMILESCOc1cc(OC)c(-c2cn3cc(NCCNC(=O)O)c(OC)cc3n2)cc1Cl
InChIInChI=1S/C19H21ClN4O5/c1-27-15-7-16(28-2)12(20)6-11(15)13-9-24-10-14(21-4-5-22-19(25)26)17(29-3)8-18(24)23-13/h6-10,21-22H,4-5H2,1-3H3,(H,25,26)
InChIKeyMGLZYYUAPUYRJG-UHFFFAOYSA-N
MW420.85 g/mol
LogP3.36
Rot. Bonds8

About 2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid

2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid (PubChem CID 135335103) has the molecular formula C19H21ClN4O5 and a molecular weight of 420.85 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid
PubChem CID135335103
Molecular FormulaC19H21ClN4O5
Molecular Weight420.85 g/mol
Exact Mass420.12
IUPAC Name2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid
SMILESCOc1cc(OC)c(-c2cn3cc(NCCNC(=O)O)c(OC)cc3n2)cc1Cl
InChIInChI=1S/C19H21ClN4O5/c1-27-15-7-16(28-2)12(20)6-11(15)13-9-24-10-14(21-4-5-22-19(25)26)17(29-3)8-18(24)23-13/h6-10,21-22H,4-5H2,1-3H3,(H,25,26)
InChIKeyMGLZYYUAPUYRJG-UHFFFAOYSA-N
XLogP3.36
TPSA106.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 135335358
2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]acetamide
CID 135335412
[1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 135334990
2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-7-amine
CID 135335466
N-[2-[[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide
CID 154702294
N-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-(methylamino)acetamide
CID 135334878
2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine
CID 135281243
2-(5-chloro-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine
CID 135335373
2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-amine;hydrochloride
CID 135335467
(2S)-2,6-diamino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]hexanamide
CID 135335149
[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-iodopiperidin-4-yl]carbamic acid
CID 135335365
(2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide
CID 135334896

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid?
The IUPAC name of 2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid (CID 135335103) is 2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid.
What is the SMILES notation for 2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid?
The canonical SMILES for 2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid is COc1cc(OC)c(-c2cn3cc(NCCNC(=O)O)c(OC)cc3n2)cc1Cl.
What is the InChIKey of 2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid?
The InChIKey is MGLZYYUAPUYRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O5/c1-27-15-7-16(28-2)12(20)6-11(15)13-9-24-10-14(21-4-5-22-19(25)26)17(29-3)8-18(24)23-13/h6-10,21-22H,4-5H2,1-3H3,(H,25,26).
What are the key properties of 2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid?
2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid has a molecular weight of 420.85 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid is sourced from PubChem (CID 135335103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).