methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate

C18H17FN4O3 — CID 139767752

IUPACmethyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(F)c1CNc1cccn2c(C=O)c(C)nc12
InChIInChI=1S/C18H17FN4O3/c1-11-16(10-24)23-8-4-7-15(17(23)21-11)20-9-12-13(19)5-3-6-14(12)22-18(25)26-2/h3-8,10,20H,9H2,1-2H3,(H,22,25)
InChIKeyLIQJMEKHTZSSQY-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.38
Rot. Bonds5

About methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate

methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate (PubChem CID 139767752) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate
PubChem CID139767752
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Namemethyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(F)c1CNc1cccn2c(C=O)c(C)nc12
InChIInChI=1S/C18H17FN4O3/c1-11-16(10-24)23-8-4-7-15(17(23)21-11)20-9-12-13(19)5-3-6-14(12)22-18(25)26-2/h3-8,10,20H,9H2,1-2H3,(H,22,25)
InChIKeyLIQJMEKHTZSSQY-UHFFFAOYSA-N
XLogP3.38
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate
CID 139767745
N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]acetamide
CID 139767770
methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-4-methylphenyl]carbamate
CID 139767738
methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-6-methylphenyl]carbamate
CID 139767757
[(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate
CID 139767773
2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate
CID 10906129
[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride
CID 22672630
2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylbenzamide
CID 70296765
2,8-dimethylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2758567
methyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate
CID 139767750
N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]pyridine-3-carboxamide
CID 54464170
methyl N-[3-fluoro-2-(4-formyl-3-methylpyrazol-1-yl)phenyl]carbamate
CID 86669736

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate (CID 139767752) is methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate is COC(=O)Nc1cccc(F)c1CNc1cccn2c(C=O)c(C)nc12.
What is the InChIKey of methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate?
The InChIKey is LIQJMEKHTZSSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-11-16(10-24)23-8-4-7-15(17(23)21-11)20-9-12-13(19)5-3-6-14(12)22-18(25)26-2/h3-8,10,20H,9H2,1-2H3,(H,22,25).
What are the key properties of methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate?
methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate has a molecular weight of 356.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate is sourced from PubChem (CID 139767752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).