methyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate

C24H22N6O3 — CID 171795393

IUPACmethyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate
SMILESCOC(=O)N1CC(c2ccc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)nn2)C1
InChIInChI=1S/C24H22N6O3/c1-15-6-7-16(18-8-9-19(28-27-18)17-13-29(14-17)24(32)33-2)11-20(15)26-23(31)21-12-25-22-5-3-4-10-30(21)22/h3-12,17H,13-14H2,1-2H3,(H,26,31)
InChIKeyHXUYTZMKSZRGDK-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.52
Rot. Bonds4

About methyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate

methyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate (PubChem CID 171795393) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is methyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate
PubChem CID171795393
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Namemethyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate
SMILESCOC(=O)N1CC(c2ccc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)nn2)C1
InChIInChI=1S/C24H22N6O3/c1-15-6-7-16(18-8-9-19(28-27-18)17-13-29(14-17)24(32)33-2)11-20(15)26-23(31)21-12-25-22-5-3-4-10-30(21)22/h3-12,17H,13-14H2,1-2H3,(H,26,31)
InChIKeyHXUYTZMKSZRGDK-UHFFFAOYSA-N
XLogP3.52
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[5-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]imidazol-1-yl]azetidine-1-carboxylate
CID 171795291
N-[2-methyl-5-(1-methylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171795473
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-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
azetidine;N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796634
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
methyl 3-[3-[3-[(6-hydroxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 171796550
aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144545364
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-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281735
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
methyl 3-[3-[4-methyl-3-[[7-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 71280918

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate?
The IUPAC name of methyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate (CID 171795393) is methyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate.
What is the SMILES notation for methyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate?
The canonical SMILES for methyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate is COC(=O)N1CC(c2ccc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)nn2)C1.
What is the InChIKey of methyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate?
The InChIKey is HXUYTZMKSZRGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-15-6-7-16(18-8-9-19(28-27-18)17-13-29(14-17)24(32)33-2)11-20(15)26-23(31)21-12-25-22-5-3-4-10-30(21)22/h3-12,17H,13-14H2,1-2H3,(H,26,31).
What are the key properties of methyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate?
methyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate has a molecular weight of 442.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate is sourced from PubChem (CID 171795393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).