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

C23H16ClF3N4O — CID 22032188

IUPAC3-[4-(difluoromethoxy)phenyl]-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;hydrochloride
SMILESCl.Fc1ccccc1-c1[nH]ncc1-c1ccc2ncc(-c3ccc(OC(F)F)cc3)n2c1
InChIInChI=1S/C23H15F3N4O.ClH/c24-19-4-2-1-3-17(19)22-18(11-28-29-22)15-7-10-21-27-12-20(30(21)13-15)14-5-8-16(9-6-14)31-23(25)26;/h1-13,23H,(H,28,29);1H
InChIKeyJDSQMHQWBPXXAT-UHFFFAOYSA-N
MW456.86 g/mol
LogP6.22
Rot. Bonds5

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

3-[4-(difluoromethoxy)phenyl]-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;hydrochloride (PubChem CID 22032188) has the molecular formula C23H16ClF3N4O and a molecular weight of 456.86 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;hydrochloride.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;hydrochloride
PubChem CID22032188
Molecular FormulaC23H16ClF3N4O
Molecular Weight456.86 g/mol
Exact Mass456.10
IUPAC Name3-[4-(difluoromethoxy)phenyl]-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;hydrochloride
SMILESCl.Fc1ccccc1-c1[nH]ncc1-c1ccc2ncc(-c3ccc(OC(F)F)cc3)n2c1
InChIInChI=1S/C23H15F3N4O.ClH/c24-19-4-2-1-3-17(19)22-18(11-28-29-22)15-7-10-21-27-12-20(30(21)13-15)14-5-8-16(9-6-14)31-23(25)26;/h1-13,23H,(H,28,29);1H
InChIKeyJDSQMHQWBPXXAT-UHFFFAOYSA-N
XLogP6.22
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.86
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;hydrochloride?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;hydrochloride (CID 22032188) is 3-[4-(difluoromethoxy)phenyl]-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;hydrochloride.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;hydrochloride?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;hydrochloride is Cl.Fc1ccccc1-c1[nH]ncc1-c1ccc2ncc(-c3ccc(OC(F)F)cc3)n2c1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;hydrochloride?
The InChIKey is JDSQMHQWBPXXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O.ClH/c24-19-4-2-1-3-17(19)22-18(11-28-29-22)15-7-10-21-27-12-20(30(21)13-15)14-5-8-16(9-6-14)31-23(25)26;/h1-13,23H,(H,28,29);1H.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;hydrochloride?
3-[4-(difluoromethoxy)phenyl]-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;hydrochloride has a molecular weight of 456.86 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;hydrochloride is sourced from PubChem (CID 22032188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).