1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea

C26H23FN6O2 — CID 74767000

IUPAC1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea
SMILESCCOc1nn(-c2ccccc2)c(NC(=O)Nc2c(-c3ccccc3)nc3c(F)cccn23)c1C
InChIInChI=1S/C26H23FN6O2/c1-3-35-25-17(2)22(33(31-25)19-13-8-5-9-14-19)29-26(34)30-24-21(18-11-6-4-7-12-18)28-23-20(27)15-10-16-32(23)24/h4-16H,3H2,1-2H3,(H2,29,30,34)
InChIKeyVVMCQEIUHRVGBN-UHFFFAOYSA-N
MW470.51 g/mol
LogP5.68
Rot. Bonds6

About 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea

1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea (PubChem CID 74767000) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea
PubChem CID74767000
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea
SMILESCCOc1nn(-c2ccccc2)c(NC(=O)Nc2c(-c3ccccc3)nc3c(F)cccn23)c1C
InChIInChI=1S/C26H23FN6O2/c1-3-35-25-17(2)22(33(31-25)19-13-8-5-9-14-19)29-26(34)30-24-21(18-11-6-4-7-12-18)28-23-20(27)15-10-16-32(23)24/h4-16H,3H2,1-2H3,(H2,29,30,34)
InChIKeyVVMCQEIUHRVGBN-UHFFFAOYSA-N
XLogP5.68
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.51
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea?
The IUPAC name of 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea (CID 74767000) is 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea.
What is the SMILES notation for 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea?
The canonical SMILES for 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea is CCOc1nn(-c2ccccc2)c(NC(=O)Nc2c(-c3ccccc3)nc3c(F)cccn23)c1C.
What is the InChIKey of 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea?
The InChIKey is VVMCQEIUHRVGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c1-3-35-25-17(2)22(33(31-25)19-13-8-5-9-14-19)29-26(34)30-24-21(18-11-6-4-7-12-18)28-23-20(27)15-10-16-32(23)24/h4-16H,3H2,1-2H3,(H2,29,30,34).
What are the key properties of 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea?
1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea has a molecular weight of 470.51 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)urea is sourced from PubChem (CID 74767000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).