methyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate

C23H20N4O4S — CID 87514257

IUPACmethyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-c3csc(C4(c5ccc(C(=O)NO)cc5)CC4)n3)c(C)nc2c1
InChIInChI=1S/C23H20N4O4S/c1-13-19(27-10-7-15(21(29)31-2)11-18(27)24-13)17-12-32-22(25-17)23(8-9-23)16-5-3-14(4-6-16)20(28)26-30/h3-7,10-12,30H,8-9H2,1-2H3,(H,26,28)
InChIKeySXMAXJLXTGXLJY-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.75
Rot. Bonds5

About methyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate

methyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 87514257) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is methyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate
PubChem CID87514257
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Namemethyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-c3csc(C4(c5ccc(C(=O)NO)cc5)CC4)n3)c(C)nc2c1
InChIInChI=1S/C23H20N4O4S/c1-13-19(27-10-7-15(21(29)31-2)11-18(27)24-13)17-12-32-22(25-17)23(8-9-23)16-5-3-14(4-6-16)20(28)26-30/h3-7,10-12,30H,8-9H2,1-2H3,(H,26,28)
InChIKeySXMAXJLXTGXLJY-UHFFFAOYSA-N
XLogP3.75
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate (CID 87514257) is methyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(-c3csc(C4(c5ccc(C(=O)NO)cc5)CC4)n3)c(C)nc2c1.
What is the InChIKey of methyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is SXMAXJLXTGXLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-13-19(27-10-7-15(21(29)31-2)11-18(27)24-13)17-12-32-22(25-17)23(8-9-23)16-5-3-14(4-6-16)20(28)26-30/h3-7,10-12,30H,8-9H2,1-2H3,(H,26,28).
What are the key properties of methyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate?
methyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 448.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 87514257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).