methyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate

C24H21FN4O4 — CID 67446850

IUPACmethyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(CCNC(=O)OCc3ccccc3)c(-c3cncc(F)c3)n12
InChIInChI=1S/C24H21FN4O4/c1-32-23(30)20-8-5-9-21-28-19(22(29(20)21)17-12-18(25)14-26-13-17)10-11-27-24(31)33-15-16-6-3-2-4-7-16/h2-9,12-14H,10-11,15H2,1H3,(H,27,31)
InChIKeyWMIAPIOIAAZMTD-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.79
Rot. Bonds7

About methyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate

methyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 67446850) has the molecular formula C24H21FN4O4 and a molecular weight of 448.45 g/mol. Its IUPAC name is methyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID67446850
Molecular FormulaC24H21FN4O4
Molecular Weight448.45 g/mol
Exact Mass448.15
IUPAC Namemethyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(CCNC(=O)OCc3ccccc3)c(-c3cncc(F)c3)n12
InChIInChI=1S/C24H21FN4O4/c1-32-23(30)20-8-5-9-21-28-19(22(29(20)21)17-12-18(25)14-26-13-17)10-11-27-24(31)33-15-16-6-3-2-4-7-16/h2-9,12-14H,10-11,15H2,1H3,(H,27,31)
InChIKeyWMIAPIOIAAZMTD-UHFFFAOYSA-N
XLogP3.79
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate (CID 67446850) is methyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1cccc2nc(CCNC(=O)OCc3ccccc3)c(-c3cncc(F)c3)n12.
What is the InChIKey of methyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is WMIAPIOIAAZMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4/c1-32-23(30)20-8-5-9-21-28-19(22(29(20)21)17-12-18(25)14-26-13-17)10-11-27-24(31)33-15-16-6-3-2-4-7-16/h2-9,12-14H,10-11,15H2,1H3,(H,27,31).
What are the key properties of methyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
methyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 448.45 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 67446850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).