methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate

C19H18IN3O3 — CID 59175639

IUPACmethyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(C(=O)Nc2cn3cc(I)ccc3n2)cc1
InChIInChI=1S/C19H18IN3O3/c1-19(2,18(25)26-3)13-6-4-12(5-7-13)17(24)22-15-11-23-10-14(20)8-9-16(23)21-15/h4-11H,1-3H3,(H,22,24)
InChIKeyFBGWLLCALYCYMH-UHFFFAOYSA-N
MW463.28 g/mol
LogP3.64
Rot. Bonds4

About methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate

methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate (PubChem CID 59175639) has the molecular formula C19H18IN3O3 and a molecular weight of 463.28 g/mol. Its IUPAC name is methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate
PubChem CID59175639
Molecular FormulaC19H18IN3O3
Molecular Weight463.28 g/mol
Exact Mass463.04
IUPAC Namemethyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(C(=O)Nc2cn3cc(I)ccc3n2)cc1
InChIInChI=1S/C19H18IN3O3/c1-19(2,18(25)26-3)13-6-4-12(5-7-13)17(24)22-15-11-23-10-14(20)8-9-16(23)21-15/h4-11H,1-3H3,(H,22,24)
InChIKeyFBGWLLCALYCYMH-UHFFFAOYSA-N
XLogP3.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide
CID 59175307
N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide
CID 68661287
2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid
CID 53321232
N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[(1Z)-1-hydrazinyl-1-hydrazinylidene-2-methylpropan-2-yl]benzamide
CID 143620247
4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-chloroimidazo[1,2-a]pyridin-2-yl)benzamide
CID 68661308
N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide
CID 59175341
4-tert-butyl-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide;methanesulfonic acid
CID 86638590
4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
CID 68661327
4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide
CID 59175581
N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[1-(methanesulfonamido)-2-methylpropan-2-yl]benzamide
CID 59175320
N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide
CID 59175461
4-[2-(methoxycarbonylamino)imidazo[1,2-a]pyridin-6-yl]sulfanylbenzoic acid
CID 54095050

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate?
The IUPAC name of methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate (CID 59175639) is methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate is COC(=O)C(C)(C)c1ccc(C(=O)Nc2cn3cc(I)ccc3n2)cc1.
What is the InChIKey of methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate?
The InChIKey is FBGWLLCALYCYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN3O3/c1-19(2,18(25)26-3)13-6-4-12(5-7-13)17(24)22-15-11-23-10-14(20)8-9-16(23)21-15/h4-11H,1-3H3,(H,22,24).
What are the key properties of methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate?
methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate has a molecular weight of 463.28 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate is sourced from PubChem (CID 59175639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).