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

C23H19FN4O4 — CID 67432719

IUPAC3-(5-fluoro-3-pyridinyl)-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCC(NC(=O)OCc1ccccc1)c1nc2cccc(C(=O)O)n2c1-c1cncc(F)c1
InChIInChI=1S/C23H19FN4O4/c1-14(26-23(31)32-13-15-6-3-2-4-7-15)20-21(16-10-17(24)12-25-11-16)28-18(22(29)30)8-5-9-19(28)27-20/h2-12,14H,13H2,1H3,(H,26,31)(H,29,30)
InChIKeyHTUHGAHNFRVWDD-UHFFFAOYSA-N
MW434.43 g/mol
LogP4.22
Rot. Bonds6

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

3-(5-fluoro-3-pyridinyl)-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 67432719) has the molecular formula C23H19FN4O4 and a molecular weight of 434.43 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID67432719
Molecular FormulaC23H19FN4O4
Molecular Weight434.43 g/mol
Exact Mass434.14
IUPAC Name3-(5-fluoro-3-pyridinyl)-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCC(NC(=O)OCc1ccccc1)c1nc2cccc(C(=O)O)n2c1-c1cncc(F)c1
InChIInChI=1S/C23H19FN4O4/c1-14(26-23(31)32-13-15-6-3-2-4-7-15)20-21(16-10-17(24)12-25-11-16)28-18(22(29)30)8-5-9-19(28)27-20/h2-12,14H,13H2,1H3,(H,26,31)(H,29,30)
InChIKeyHTUHGAHNFRVWDD-UHFFFAOYSA-N
XLogP4.22
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 67432719) is 3-(5-fluoro-3-pyridinyl)-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid is CC(NC(=O)OCc1ccccc1)c1nc2cccc(C(=O)O)n2c1-c1cncc(F)c1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is HTUHGAHNFRVWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4/c1-14(26-23(31)32-13-15-6-3-2-4-7-15)20-21(16-10-17(24)12-25-11-16)28-18(22(29)30)8-5-9-19(28)27-20/h2-12,14H,13H2,1H3,(H,26,31)(H,29,30).
What are the key properties of 3-(5-fluoro-3-pyridinyl)-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
3-(5-fluoro-3-pyridinyl)-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 434.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 67432719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).