ethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate

C24H34N4O4 — CID 143686025

IUPACethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1cn2c(C(=O)NCC3CCCC(C)(C)C3C)cccc2n1
InChIInChI=1S/C24H34N4O4/c1-6-32-21(29)15-27(5)23(31)18-14-28-19(10-7-11-20(28)26-18)22(30)25-13-17-9-8-12-24(3,4)16(17)2/h7,10-11,14,16-17H,6,8-9,12-13,15H2,1-5H3,(H,25,30)
InChIKeyLOCRDINPIHACIQ-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.16
Rot. Bonds7

About ethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate

ethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate (PubChem CID 143686025) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is ethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate
PubChem CID143686025
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Nameethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1cn2c(C(=O)NCC3CCCC(C)(C)C3C)cccc2n1
InChIInChI=1S/C24H34N4O4/c1-6-32-21(29)15-27(5)23(31)18-14-28-19(10-7-11-20(28)26-18)22(30)25-13-17-9-8-12-24(3,4)16(17)2/h7,10-11,14,16-17H,6,8-9,12-13,15H2,1-5H3,(H,25,30)
InChIKeyLOCRDINPIHACIQ-UHFFFAOYSA-N
XLogP3.16
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate with MolForge

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Related Compounds

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CID 53469009
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CID 58355573
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CID 68234658
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CID 69007013
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CID 11516388
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CID 138622158
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CID 647873
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate (CID 143686025) is ethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate is CCOC(=O)CN(C)C(=O)c1cn2c(C(=O)NCC3CCCC(C)(C)C3C)cccc2n1.
What is the InChIKey of ethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate?
The InChIKey is LOCRDINPIHACIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-6-32-21(29)15-27(5)23(31)18-14-28-19(10-7-11-20(28)26-18)22(30)25-13-17-9-8-12-24(3,4)16(17)2/h7,10-11,14,16-17H,6,8-9,12-13,15H2,1-5H3,(H,25,30).
What are the key properties of ethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate?
ethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate has a molecular weight of 442.56 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[5-[(2,3,3-trimethylcyclohexyl)methylcarbamoyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 143686025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).