2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate

C21H22N4O2 — CID 66667353

IUPAC2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate
SMILESCN(C)CCOC(=O)c1c2ccc(-c3nccn3C)cc2n2ccccc12
InChIInChI=1S/C21H22N4O2/c1-23(2)12-13-27-21(26)19-16-8-7-15(20-22-9-11-24(20)3)14-18(16)25-10-5-4-6-17(19)25/h4-11,14H,12-13H2,1-3H3
InChIKeyQHDGIPAPXCHGJA-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.21
Rot. Bonds5

About 2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate

2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate (PubChem CID 66667353) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate
PubChem CID66667353
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate
SMILESCN(C)CCOC(=O)c1c2ccc(-c3nccn3C)cc2n2ccccc12
InChIInChI=1S/C21H22N4O2/c1-23(2)12-13-27-21(26)19-16-8-7-15(20-22-9-11-24(20)3)14-18(16)25-10-5-4-6-17(19)25/h4-11,14H,12-13H2,1-3H3
InChIKeyQHDGIPAPXCHGJA-UHFFFAOYSA-N
XLogP3.21
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Methyl candesartan
CID 15654696
1-Dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10529249
1-Dimethylcarbamoyl-3-[4-(2-methyl-benzoimidazol-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10791349
3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1-(propane-2-sulfonyl)-1H-indole-4-carboxylic acid methyl ester
CID 10792315
1-Dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid benzyl ester
CID 10816905
1-Dimethylcarbamoyl-6-(4-fluoro-phenyl)-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10841126
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
CID 130276131
1-Dimethylcarbamoyl-3-{2-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-acetyl}-1H-indole-4-carboxylic acid methyl ester
CID 10767539
1-Dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-6-phenylethynyl-1H-indole-4-carboxylic acid methyl ester
CID 10793625

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate (CID 66667353) is 2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate is CN(C)CCOC(=O)c1c2ccc(-c3nccn3C)cc2n2ccccc12.
What is the InChIKey of 2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is QHDGIPAPXCHGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-23(2)12-13-27-21(26)19-16-8-7-15(20-22-9-11-24(20)3)14-18(16)25-10-5-4-6-17(19)25/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate?
2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3-(1-methylimidazol-2-yl)pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66667353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).