ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate

C19H15FN4O2 — CID 134202523

IUPACethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2nccn2c1
InChIInChI=1S/C19H15FN4O2/c1-2-26-19(25)18-16(13-5-8-15-21-9-10-24(15)11-13)17(22-23-18)12-3-6-14(20)7-4-12/h3-11H,2H2,1H3,(H,22,23)
InChIKeyPHAZOTBQSVHUEU-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.71
Rot. Bonds4

About ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate

ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate (PubChem CID 134202523) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate
PubChem CID134202523
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Nameethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2nccn2c1
InChIInChI=1S/C19H15FN4O2/c1-2-26-19(25)18-16(13-5-8-15-21-9-10-24(15)11-13)17(22-23-18)12-3-6-14(20)7-4-12/h3-11H,2H2,1H3,(H,22,23)
InChIKeyPHAZOTBQSVHUEU-UHFFFAOYSA-N
XLogP3.71
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate (CID 134202523) is ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate is CCOC(=O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2nccn2c1.
What is the InChIKey of ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate?
The InChIKey is PHAZOTBQSVHUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-2-26-19(25)18-16(13-5-8-15-21-9-10-24(15)11-13)17(22-23-18)12-3-6-14(20)7-4-12/h3-11H,2H2,1H3,(H,22,23).
What are the key properties of ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate?
ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate has a molecular weight of 350.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 134202523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).