ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate

C22H26N4O3 — CID 109238384

IUPACethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cncc(C(=O)N3c4ccccc4CC3C)c2)CC1
InChIInChI=1S/C22H26N4O3/c1-3-29-22(28)25-10-8-24(9-11-25)19-13-18(14-23-15-19)21(27)26-16(2)12-17-6-4-5-7-20(17)26/h4-7,13-16H,3,8-12H2,1-2H3
InChIKeyDRKQFDQIQJFJOI-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.95
Rot. Bonds3

About ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate

ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 109238384) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
PubChem CID109238384
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Nameethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cncc(C(=O)N3c4ccccc4CC3C)c2)CC1
InChIInChI=1S/C22H26N4O3/c1-3-29-22(28)25-10-8-24(9-11-25)19-13-18(14-23-15-19)21(27)26-16(2)12-17-6-4-5-7-20(17)26/h4-7,13-16H,3,8-12H2,1-2H3
InChIKeyDRKQFDQIQJFJOI-UHFFFAOYSA-N
XLogP2.95
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate 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 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109230451
ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109231667
N-ethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-3-carboxamide
CID 109108564
ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109225171
[5-(cyclopentylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109226236
ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109238366
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230282
(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173637
N-(2,5-dimethylphenyl)-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108285
ethyl 4-[5-(1,3-benzodioxol-5-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109238382
[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109238203
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate (CID 109238384) is ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cncc(C(=O)N3c4ccccc4CC3C)c2)CC1.
What is the InChIKey of ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is DRKQFDQIQJFJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-29-22(28)25-10-8-24(9-11-25)19-13-18(14-23-15-19)21(27)26-16(2)12-17-6-4-5-7-20(17)26/h4-7,13-16H,3,8-12H2,1-2H3.
What are the key properties of ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 394.48 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 109238384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).