ethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate

C24H27N3O3 — CID 84556691

IUPACethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c(-c3ccc(C)cc3)nc3ccc(C)cn23)CC1
InChIInChI=1S/C24H27N3O3/c1-4-30-24(29)19-11-13-26(14-12-19)23(28)22-21(18-8-5-16(2)6-9-18)25-20-10-7-17(3)15-27(20)22/h5-10,15,19H,4,11-14H2,1-3H3
InChIKeyFNZBIPJLPXEYRU-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.03
Rot. Bonds4

About ethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate

ethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate (PubChem CID 84556691) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is ethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate
PubChem CID84556691
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Nameethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c(-c3ccc(C)cc3)nc3ccc(C)cn23)CC1
InChIInChI=1S/C24H27N3O3/c1-4-30-24(29)19-11-13-26(14-12-19)23(28)22-21(18-8-5-16(2)6-9-18)25-20-10-7-17(3)15-27(20)22/h5-10,15,19H,4,11-14H2,1-3H3
InChIKeyFNZBIPJLPXEYRU-UHFFFAOYSA-N
XLogP4.03
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 84556695
N-cyclopropyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84556412
ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate
CID 103874990
N,N,6-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 15768580
ethyl 1-[(1S,5R)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidine-4-carboxylate
CID 90391808
ethyl 1-(6-methoxypyridine-2-carbonyl)piperidine-4-carboxylate
CID 84580551
ethyl 1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate
CID 87051265
ethyl 1-[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate
CID 3470686
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate
CID 44783014
ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 3974706

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate (CID 84556691) is ethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2c(-c3ccc(C)cc3)nc3ccc(C)cn23)CC1.
What is the InChIKey of ethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is FNZBIPJLPXEYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-4-30-24(29)19-11-13-26(14-12-19)23(28)22-21(18-8-5-16(2)6-9-18)25-20-10-7-17(3)15-27(20)22/h5-10,15,19H,4,11-14H2,1-3H3.
What are the key properties of ethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate?
ethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 84556691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).