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

C22H19N5O3 — CID 50847842

IUPACethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Nc2c(-c3ccncc3)nc3ccccn23)c1
InChIInChI=1S/C22H19N5O3/c1-2-30-21(28)16-6-5-7-17(14-16)24-22(29)26-20-19(15-9-11-23-12-10-15)25-18-8-3-4-13-27(18)20/h3-14H,2H2,1H3,(H2,24,26,29)
InChIKeyUHCFPRMKQKHOJQ-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.22
Rot. Bonds5

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

ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate (PubChem CID 50847842) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
PubChem CID50847842
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Nameethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Nc2c(-c3ccncc3)nc3ccccn23)c1
InChIInChI=1S/C22H19N5O3/c1-2-30-21(28)16-6-5-7-17(14-16)24-22(29)26-20-19(15-9-11-23-12-10-15)25-18-8-3-4-13-27(18)20/h3-14H,2H2,1H3,(H2,24,26,29)
InChIKeyUHCFPRMKQKHOJQ-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

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Related Compounds

ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847843
1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 50847939
1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 50847541
1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 4825752
ethyl 2-(4-hydroxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 21280357
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]benzoate
CID 90353046
ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 137355302
ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 138982849
ethyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 47221039
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
ethyl 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 10108596

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate?
The IUPAC name of ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate (CID 50847842) is ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate is CCOC(=O)c1cccc(NC(=O)Nc2c(-c3ccncc3)nc3ccccn23)c1.
What is the InChIKey of ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate?
The InChIKey is UHCFPRMKQKHOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-2-30-21(28)16-6-5-7-17(14-16)24-22(29)26-20-19(15-9-11-23-12-10-15)25-18-8-3-4-13-27(18)20/h3-14H,2H2,1H3,(H2,24,26,29).
What are the key properties of ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate?
ethyl 3-[(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 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate is sourced from PubChem (CID 50847842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).