ethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate

C22H30N4O4 — CID 24790567

IUPACethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)CC1
InChIInChI=1S/C22H30N4O4/c1-3-30-22(28)17-6-9-24(10-7-17)15-18-19(21(27)25-11-13-29-14-12-25)23-20-16(2)5-4-8-26(18)20/h4-5,8,17H,3,6-7,9-15H2,1-2H3
InChIKeyMRJVKNRRVPFMQV-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.89
Rot. Bonds5

About ethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate (PubChem CID 24790567) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is ethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
PubChem CID24790567
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Nameethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)CC1
InChIInChI=1S/C22H30N4O4/c1-3-30-22(28)17-6-9-24(10-7-17)15-18-19(21(27)25-11-13-29-14-12-25)23-20-16(2)5-4-8-26(18)20/h4-5,8,17H,3,6-7,9-15H2,1-2H3
InChIKeyMRJVKNRRVPFMQV-UHFFFAOYSA-N
XLogP1.89
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate (CID 24790567) is ethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)CC1.
What is the InChIKey of ethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
The InChIKey is MRJVKNRRVPFMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-3-30-22(28)17-6-9-24(10-7-17)15-18-19(21(27)25-11-13-29-14-12-25)23-20-16(2)5-4-8-26(18)20/h4-5,8,17H,3,6-7,9-15H2,1-2H3.
What are the key properties of ethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate has a molecular weight of 414.51 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 24790567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).