methyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate

C23H22N6O3 — CID 171795291

IUPACmethyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate
SMILESCOC(=O)N1CC(n2cncc2-c2ccc(C)c(NC(=O)c3cnc4ccccn34)c2)C1
InChIInChI=1S/C23H22N6O3/c1-15-6-7-16(19-10-24-14-29(19)17-12-27(13-17)23(31)32-2)9-18(15)26-22(30)20-11-25-21-5-3-4-8-28(20)21/h3-11,14,17H,12-13H2,1-2H3,(H,26,30)
InChIKeyWSCOOALJPPTALE-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.38
Rot. Bonds4

About methyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate

methyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate (PubChem CID 171795291) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is methyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate
PubChem CID171795291
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Namemethyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate
SMILESCOC(=O)N1CC(n2cncc2-c2ccc(C)c(NC(=O)c3cnc4ccccn34)c2)C1
InChIInChI=1S/C23H22N6O3/c1-15-6-7-16(19-10-24-14-29(19)17-12-27(13-17)23(31)32-2)9-18(15)26-22(30)20-11-25-21-5-3-4-8-28(20)21/h3-11,14,17H,12-13H2,1-2H3,(H,26,30)
InChIKeyWSCOOALJPPTALE-UHFFFAOYSA-N
XLogP3.38
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate
CID 171795393
methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
CID 71289394
N-[2-methyl-5-(1-methylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171795473
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796698
azetidine;N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796634
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-[5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176617365
N-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282403
N-[2-methyl-5-[5-[(3-methylsulfonylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71289586
N-[2-methyl-5-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281735
N-[5-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282200

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate?
The IUPAC name of methyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate (CID 171795291) is methyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate.
What is the SMILES notation for methyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate?
The canonical SMILES for methyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate is COC(=O)N1CC(n2cncc2-c2ccc(C)c(NC(=O)c3cnc4ccccn34)c2)C1.
What is the InChIKey of methyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate?
The InChIKey is WSCOOALJPPTALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-15-6-7-16(19-10-24-14-29(19)17-12-27(13-17)23(31)32-2)9-18(15)26-22(30)20-11-25-21-5-3-4-8-28(20)21/h3-11,14,17H,12-13H2,1-2H3,(H,26,30).
What are the key properties of methyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate?
methyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate has a molecular weight of 430.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate is sourced from PubChem (CID 171795291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).