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

C24H21Cl2FN4O2 — CID 22031264

IUPAC3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;dihydrochloride
SMILESCOc1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)cc1OC.Cl.Cl
InChIInChI=1S/C24H19FN4O2.2ClH/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);2*1H
InChIKeyRSENFLZWUCYHNO-UHFFFAOYSA-N
MW487.36 g/mol
LogP6.06
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;dihydrochloride (PubChem CID 22031264) has the molecular formula C24H21Cl2FN4O2 and a molecular weight of 487.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;dihydrochloride
PubChem CID22031264
Molecular FormulaC24H21Cl2FN4O2
Molecular Weight487.36 g/mol
Exact Mass486.10
IUPAC Name3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;dihydrochloride
SMILESCOc1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)cc1OC.Cl.Cl
InChIInChI=1S/C24H19FN4O2.2ClH/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);2*1H
InChIKeyRSENFLZWUCYHNO-UHFFFAOYSA-N
XLogP6.06
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.36
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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;dihydrochloride?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;dihydrochloride (CID 22031264) is 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;dihydrochloride.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;dihydrochloride?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;dihydrochloride is COc1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)cc1OC.Cl.Cl.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;dihydrochloride?
The InChIKey is RSENFLZWUCYHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2.2ClH/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);2*1H.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;dihydrochloride?
3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;dihydrochloride has a molecular weight of 487.36 g/mol, XLogP of 6.06, 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;dihydrochloride is sourced from PubChem (CID 22031264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).