methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate

C23H27N3O3 — CID 10739343

IUPACmethyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2ccc(C(=O)OC)cn12
InChIInChI=1S/C23H27N3O3/c1-4-13-25(14-5-2)21(27)15-19-22(17-9-7-6-8-10-17)24-20-12-11-18(16-26(19)20)23(28)29-3/h6-12,16H,4-5,13-15H2,1-3H3
InChIKeyBPLMEUNUFDMJRN-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.98
Rot. Bonds8

About methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate

methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 10739343) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID10739343
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Namemethyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2ccc(C(=O)OC)cn12
InChIInChI=1S/C23H27N3O3/c1-4-13-25(14-5-2)21(27)15-19-22(17-9-7-6-8-10-17)24-20-12-11-18(16-26(19)20)23(28)29-3/h6-12,16H,4-5,13-15H2,1-3H3
InChIKeyBPLMEUNUFDMJRN-UHFFFAOYSA-N
XLogP3.98
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate with MolForge

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Related Compounds

3-Pyridinecarboxylic acid, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
CID 83435
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Zolpidem carboxylic acid
CID 11966044
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
SL-84.0877
CID 13691335
Imidazo(1,2-a)pyridine-3-acetamide, 6-(hydroxymethyl)-N,N-dimethyl-2-(4-methylphenyl)-
CID 13691337
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
[2-(4-Methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 3529980
Imidazo[1,2-a]pyridine-6-carboxylic acid, 2-(3-aminophenyl)-, methyl ester
CID 3845864
Ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate
CID 4782702
2,7-Dimethyl-3-{[(4-methylbenzoyl)oxy]ethanimidoyl}imidazo[1,2-a]pyridine
CID 5524230

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate (CID 10739343) is methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate is CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2ccc(C(=O)OC)cn12.
What is the InChIKey of methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is BPLMEUNUFDMJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-13-25(14-5-2)21(27)15-19-22(17-9-7-6-8-10-17)24-20-12-11-18(16-26(19)20)23(28)29-3/h6-12,16H,4-5,13-15H2,1-3H3.
What are the key properties of methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 393.49 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 10739343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).