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

C12H9BrN4O2 — CID 139487369

IUPAC1-[(5-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2cn3c(Br)cccc3n2)c1
InChIInChI=1S/C12H9BrN4O2/c13-10-2-1-3-11-15-9(7-17(10)11)6-16-5-8(4-14-16)12(18)19/h1-5,7H,6H2,(H,18,19)
InChIKeyGYPYEGKBWCMACI-UHFFFAOYSA-N
MW321.13 g/mol
LogP2.04
Rot. Bonds3

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

1-[(5-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid (PubChem CID 139487369) has the molecular formula C12H9BrN4O2 and a molecular weight of 321.13 g/mol. Its IUPAC name is 1-[(5-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid
PubChem CID139487369
Molecular FormulaC12H9BrN4O2
Molecular Weight321.13 g/mol
Exact Mass319.99
IUPAC Name1-[(5-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2cn3c(Br)cccc3n2)c1
InChIInChI=1S/C12H9BrN4O2/c13-10-2-1-3-11-15-9(7-17(10)11)6-16-5-8(4-14-16)12(18)19/h1-5,7H,6H2,(H,18,19)
InChIKeyGYPYEGKBWCMACI-UHFFFAOYSA-N
XLogP2.04
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 52.04
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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Related Compounds

5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 117255711
1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid
CID 139487365
ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139488029
2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 167833544
2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile
CID 135394945
1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
CID 43565330
1-[(4-iodophenyl)methyl]pyrazole-4-carboxylic acid
CID 65477016
1-[(5-bromo-2-fluorophenyl)methyl]pyrazole-4-carboxylic acid
CID 43565358
1-(1-benzothiophen-3-ylmethyl)pyrazole-4-carboxylic acid
CID 63737907
1-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxylic acid
CID 43565278
1-[2-(3-bromoanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 43565364
2-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255796

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[(5-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid (CID 139487369) is 1-[(5-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[(5-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[(5-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(Cc2cn3c(Br)cccc3n2)c1.
What is the InChIKey of 1-[(5-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid?
The InChIKey is GYPYEGKBWCMACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O2/c13-10-2-1-3-11-15-9(7-17(10)11)6-16-5-8(4-14-16)12(18)19/h1-5,7H,6H2,(H,18,19).
What are the key properties of 1-[(5-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid?
1-[(5-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid has a molecular weight of 321.13 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 139487369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).