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1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid

C16H14N4O4 — CID 156762651

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)c(C(=O)O)n1
InChIInChI=1S/C16H14N4O4/c21-15(22)12-8-20(14(18-12)16(23)24)7-11-6-19-5-10(9-1-2-9)3-4-13(19)17-11/h3-6,8-9H,1-2,7H2,(H,21,22)(H,23,24)
InChIKeyRACIEXRMLSSXDQ-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.85
Rot. Bonds5

About 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid

1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid (PubChem CID 156762651) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid.

Molecular Properties

Compound Name1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid
PubChem CID156762651
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)c(C(=O)O)n1
InChIInChI=1S/C16H14N4O4/c21-15(22)12-8-20(14(18-12)16(23)24)7-11-6-19-5-10(9-1-2-9)3-4-13(19)17-11/h3-6,8-9H,1-2,7H2,(H,21,22)(H,23,24)
InChIKeyRACIEXRMLSSXDQ-UHFFFAOYSA-N
XLogP1.85
TPSA109.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid?
The IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid (CID 156762651) is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid.
What is the SMILES notation for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid?
The canonical SMILES for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid is O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)c(C(=O)O)n1.
What is the InChIKey of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid?
The InChIKey is RACIEXRMLSSXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c21-15(22)12-8-20(14(18-12)16(23)24)7-11-6-19-5-10(9-1-2-9)3-4-13(19)17-11/h3-6,8-9H,1-2,7H2,(H,21,22)(H,23,24).
What are the key properties of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid?
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid has a molecular weight of 326.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid is sourced from PubChem (CID 156762651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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