3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine

C24H19FN4O2 — CID 22031265

IUPAC3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)cc1OC
InChIInChI=1S/C24H19FN4O2/c1-30-21-9-5-16(11-22(21)31-2)20-13-26-23-10-6-17(14-29(20)23)19-12-27-28-24(19)15-3-7-18(25)8-4-15/h3-14H,1-2H3,(H,27,28)
InChIKeyHLIMCBAVOISUIR-UHFFFAOYSA-N
MW414.44 g/mol
LogP5.21
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine

3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine (PubChem CID 22031265) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
PubChem CID22031265
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)cc1OC
InChIInChI=1S/C24H19FN4O2/c1-30-21-9-5-16(11-22(21)31-2)20-13-26-23-10-6-17(14-29(20)23)19-12-27-28-24(19)15-3-7-18(25)8-4-15/h3-14H,1-2H3,(H,27,28)
InChIKeyHLIMCBAVOISUIR-UHFFFAOYSA-N
XLogP5.21
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.44
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Unii-XX8E5WP7FS
CID 118009787
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6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
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2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 10294883
US10125144, Example 18
CID 118010994
4-(azetidin-1-yl)-5-[5-(4-methoxy-2-methylphenyl)-1-methyl-1H-pyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181883
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996
1-(3-Methoxy-4-((4-methoxybenzyl)oxy)benzyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-2-amine
CID 91801232
7-Amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2988155
1-isopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905343
US11091495, Example 228
CID 152324986
Benzo[1,3]dioxol-5-ylmethyl-(2-phenyl-imidazo[1,2-a]pyridin-3-yl)-amine
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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine (CID 22031265) is 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine is COc1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is HLIMCBAVOISUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c1-30-21-9-5-16(11-22(21)31-2)20-13-26-23-10-6-17(14-29(20)23)19-12-27-28-24(19)15-3-7-18(25)8-4-15/h3-14H,1-2H3,(H,27,28).
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 414.44 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 22031265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).