ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate

C22H19N5O3 — CID 50847843

IUPACethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2c(-c3ccncc3)nc3ccccn23)cc1
InChIInChI=1S/C22H19N5O3/c1-2-30-21(28)16-6-8-17(9-7-16)24-22(29)26-20-19(15-10-12-23-13-11-15)25-18-5-3-4-14-27(18)20/h3-14H,2H2,1H3,(H2,24,26,29)
InChIKeyFRSJDHCVYIAHRZ-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.22
Rot. Bonds5

About ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate

ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate (PubChem CID 50847843) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
PubChem CID50847843
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Nameethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2c(-c3ccncc3)nc3ccccn23)cc1
InChIInChI=1S/C22H19N5O3/c1-2-30-21(28)16-6-8-17(9-7-16)24-22(29)26-20-19(15-10-12-23-13-11-15)25-18-5-3-4-14-27(18)20/h3-14H,2H2,1H3,(H2,24,26,29)
InChIKeyFRSJDHCVYIAHRZ-UHFFFAOYSA-N
XLogP4.22
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate 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

ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847842
1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 4825752
1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 50847939
methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53207832
ethyl 2-(4-hydroxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 21280357
ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 137355302
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
CID 175772540
methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate
CID 164601102
ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
CID 165177435
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
CID 42881568
ethyl 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 10108596

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate (CID 50847843) is ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2c(-c3ccncc3)nc3ccccn23)cc1.
What is the InChIKey of ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate?
The InChIKey is FRSJDHCVYIAHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-2-30-21(28)16-6-8-17(9-7-16)24-22(29)26-20-19(15-10-12-23-13-11-15)25-18-5-3-4-14-27(18)20/h3-14H,2H2,1H3,(H2,24,26,29).
What are the key properties of ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate?
ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate has a molecular weight of 401.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate is sourced from PubChem (CID 50847843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).