methyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide

C25H30N6O4 — CID 144544810

IUPACmethyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide
SMILESCNC1CC(c2nc(-c3ccc(C)c(NC=O)c3)no2)C1.COC=O.Cc1cnc2ccccn12
InChIInChI=1S/C15H18N4O2.C8H8N2.C2H4O2/c1-9-3-4-10(7-13(9)17-8-20)14-18-15(21-19-14)11-5-12(6-11)16-2;1-7-6-9-8-4-2-3-5-10(7)8;1-4-2-3/h3-4,7-8,11-12,16H,5-6H2,1-2H3,(H,17,20);2-6H,1H3;2H,1H3
InChIKeyFLMDCJOYVOYCAU-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.51
Rot. Bonds6

About methyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide

methyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide (PubChem CID 144544810) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is methyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide.

Molecular Properties

Compound Namemethyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide
PubChem CID144544810
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Namemethyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide
SMILESCNC1CC(c2nc(-c3ccc(C)c(NC=O)c3)no2)C1.COC=O.Cc1cnc2ccccn12
InChIInChI=1S/C15H18N4O2.C8H8N2.C2H4O2/c1-9-3-4-10(7-13(9)17-8-20)14-18-15(21-19-14)11-5-12(6-11)16-2;1-7-6-9-8-4-2-3-5-10(7)8;1-4-2-3/h3-4,7-8,11-12,16H,5-6H2,1-2H3,(H,17,20);2-6H,1H3;2H,1H3
InChIKeyFLMDCJOYVOYCAU-UHFFFAOYSA-N
XLogP3.51
TPSA123.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine
CID 144545278
N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine
CID 144545275
N-[2-methyl-5-[5-[3-(methylsulfanylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144544788
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]formamide;3-methyl-6-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridine
CID 144544768
N-[2-methyl-5-(5-spiro[3.3]heptan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796609
N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796241
N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide
CID 139515216
N-[2-methyl-5-[5-[(7S)-7-methyl-5,8-dioxaspiro[3.4]octan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280714
methyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfanylpropanoate
CID 139515275
N-[2-methyl-5-[5-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 150587498
1-imidazo[1,2-a]pyridin-3-yloxy-2-[2-methyl-5-[5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]hydrazine
CID 139515203

Frequently Asked Questions

What is the IUPAC name of methyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide?
The IUPAC name of methyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide (CID 144544810) is methyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide.
What is the SMILES notation for methyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide?
The canonical SMILES for methyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide is CNC1CC(c2nc(-c3ccc(C)c(NC=O)c3)no2)C1.COC=O.Cc1cnc2ccccn12.
What is the InChIKey of methyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide?
The InChIKey is FLMDCJOYVOYCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.C8H8N2.C2H4O2/c1-9-3-4-10(7-13(9)17-8-20)14-18-15(21-19-14)11-5-12(6-11)16-2;1-7-6-9-8-4-2-3-5-10(7)8;1-4-2-3/h3-4,7-8,11-12,16H,5-6H2,1-2H3,(H,17,20);2-6H,1H3;2H,1H3.
What are the key properties of methyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide?
methyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide has a molecular weight of 478.55 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide is sourced from PubChem (CID 144544810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).