1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid

C15H13FN4O2 — CID 139487903

IUPAC1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2cn3c(F)c(C4CC4)ccc3n2)c1
InChIInChI=1S/C15H13FN4O2/c16-14-12(9-1-2-9)3-4-13-18-11(8-20(13)14)7-19-6-10(5-17-19)15(21)22/h3-6,8-9H,1-2,7H2,(H,21,22)
InChIKeyJXGDDZKWFASRIH-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.29
Rot. Bonds4

About 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid

1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid (PubChem CID 139487903) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid
PubChem CID139487903
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2cn3c(F)c(C4CC4)ccc3n2)c1
InChIInChI=1S/C15H13FN4O2/c16-14-12(9-1-2-9)3-4-13-18-11(8-20(13)14)7-19-6-10(5-17-19)15(21)22/h3-6,8-9H,1-2,7H2,(H,21,22)
InChIKeyJXGDDZKWFASRIH-UHFFFAOYSA-N
XLogP2.29
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid (CID 139487903) is 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(Cc2cn3c(F)c(C4CC4)ccc3n2)c1.
What is the InChIKey of 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid?
The InChIKey is JXGDDZKWFASRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-14-12(9-1-2-9)3-4-13-18-11(8-20(13)14)7-19-6-10(5-17-19)15(21)22/h3-6,8-9H,1-2,7H2,(H,21,22).
What are the key properties of 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid?
1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid has a molecular weight of 300.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 139487903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).