2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid

C21H20N4O2 — CID 151437228

IUPAC2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid
SMILESCCC(C(=O)O)c1c(-c2ccccc2)nc2cc(-c3cnn(C)c3)ccn12
InChIInChI=1S/C21H20N4O2/c1-3-17(21(26)27)20-19(14-7-5-4-6-8-14)23-18-11-15(9-10-25(18)20)16-12-22-24(2)13-16/h4-13,17H,3H2,1-2H3,(H,26,27)
InChIKeyPDTLZTWEDGUIIG-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.98
Rot. Bonds5

About 2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid

2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid (PubChem CID 151437228) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid.

Molecular Properties

Compound Name2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid
PubChem CID151437228
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid
SMILESCCC(C(=O)O)c1c(-c2ccccc2)nc2cc(-c3cnn(C)c3)ccn12
InChIInChI=1S/C21H20N4O2/c1-3-17(21(26)27)20-19(14-7-5-4-6-8-14)23-18-11-15(9-10-25(18)20)16-12-22-24(2)13-16/h4-13,17H,3H2,1-2H3,(H,26,27)
InChIKeyPDTLZTWEDGUIIG-UHFFFAOYSA-N
XLogP3.98
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid?
The IUPAC name of 2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid (CID 151437228) is 2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid.
What is the SMILES notation for 2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid?
The canonical SMILES for 2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid is CCC(C(=O)O)c1c(-c2ccccc2)nc2cc(-c3cnn(C)c3)ccn12.
What is the InChIKey of 2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid?
The InChIKey is PDTLZTWEDGUIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-17(21(26)27)20-19(14-7-5-4-6-8-14)23-18-11-15(9-10-25(18)20)16-12-22-24(2)13-16/h4-13,17H,3H2,1-2H3,(H,26,27).
What are the key properties of 2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid?
2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid has a molecular weight of 360.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid is sourced from PubChem (CID 151437228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).