methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate

C20H27N3O5 — CID 90072576

IUPACmethyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1c(C)nc2c(OCC3CCCCC3)cccn12
InChIInChI=1S/C20H27N3O5/c1-13-17(19(25)22-15(11-24)20(26)27-2)23-10-6-9-16(18(23)21-13)28-12-14-7-4-3-5-8-14/h6,9-10,14-15,24H,3-5,7-8,11-12H2,1-2H3,(H,22,25)
InChIKeyXVQSVUWBFFNYIQ-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.87
Rot. Bonds7

About methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate

methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate (PubChem CID 90072576) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate
PubChem CID90072576
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Namemethyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1c(C)nc2c(OCC3CCCCC3)cccn12
InChIInChI=1S/C20H27N3O5/c1-13-17(19(25)22-15(11-24)20(26)27-2)23-10-6-9-16(18(23)21-13)28-12-14-7-4-3-5-8-14/h6,9-10,14-15,24H,3-5,7-8,11-12H2,1-2H3,(H,22,25)
InChIKeyXVQSVUWBFFNYIQ-UHFFFAOYSA-N
XLogP1.87
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate with MolForge

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Related Compounds

methyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate
CID 140636860
8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115913
N-cyclohexyl-8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129267906
8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115553
8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride
CID 90072983
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 90090874
8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-pyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 86713482
8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 86713490
8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid
CID 90115741
8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 86713514
8-(cyclobutylmethoxy)-N-[2-(1-hydroxycyclopentyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115513
8-(cyclohexylmethoxy)-2-ethenyl-N-[(2R)-3-ethyl-1-hydroxypent-4-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 147964608

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate (CID 90072576) is methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)c1c(C)nc2c(OCC3CCCCC3)cccn12.
What is the InChIKey of methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate?
The InChIKey is XVQSVUWBFFNYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-13-17(19(25)22-15(11-24)20(26)27-2)23-10-6-9-16(18(23)21-13)28-12-14-7-4-3-5-8-14/h6,9-10,14-15,24H,3-5,7-8,11-12H2,1-2H3,(H,22,25).
What are the key properties of methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate?
methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate has a molecular weight of 389.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 90072576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).