methyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate

C14H15IN4O3 — CID 59251668

IUPACmethyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Nc2cn3cc(I)ccc3n2)C1
InChIInChI=1S/C14H15IN4O3/c1-22-13(20)9-4-5-18(6-9)14(21)17-11-8-19-7-10(15)2-3-12(19)16-11/h2-3,7-9H,4-6H2,1H3,(H,17,21)
InChIKeyKEXLEUOIOFSLDK-UHFFFAOYSA-N
MW414.20 g/mol
LogP1.97
Rot. Bonds2

About methyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate

methyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate (PubChem CID 59251668) has the molecular formula C14H15IN4O3 and a molecular weight of 414.20 g/mol. Its IUPAC name is methyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate
PubChem CID59251668
Molecular FormulaC14H15IN4O3
Molecular Weight414.20 g/mol
Exact Mass414.02
IUPAC Namemethyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Nc2cn3cc(I)ccc3n2)C1
InChIInChI=1S/C14H15IN4O3/c1-22-13(20)9-4-5-18(6-9)14(21)17-11-8-19-7-10(15)2-3-12(19)16-11/h2-3,7-9H,4-6H2,1H3,(H,17,21)
InChIKeyKEXLEUOIOFSLDK-UHFFFAOYSA-N
XLogP1.97
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate (CID 59251668) is methyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)Nc2cn3cc(I)ccc3n2)C1.
What is the InChIKey of methyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate?
The InChIKey is KEXLEUOIOFSLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN4O3/c1-22-13(20)9-4-5-18(6-9)14(21)17-11-8-19-7-10(15)2-3-12(19)16-11/h2-3,7-9H,4-6H2,1H3,(H,17,21).
What are the key properties of methyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate?
methyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate has a molecular weight of 414.20 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 59251668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).