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

C25H19Cl3FN5S — CID 22031505

IUPAC6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine;trihydrochloride
SMILESCl.Cl.Cl.Fc1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4ccc(-c5ccccn5)s4)n3c2)cc1
InChIInChI=1S/C25H16FN5S.3ClH/c26-18-7-4-16(5-8-18)25-19(13-29-30-25)17-6-11-24-28-14-21(31(24)15-17)23-10-9-22(32-23)20-3-1-2-12-27-20;;;/h1-15H,(H,29,30);3*1H
InChIKeyDGMJMNZHRXQFCN-UHFFFAOYSA-N
MW546.89 g/mol
LogP7.59
Rot. Bonds4

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

6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine;trihydrochloride (PubChem CID 22031505) has the molecular formula C25H19Cl3FN5S and a molecular weight of 546.89 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine;trihydrochloride.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine;trihydrochloride
PubChem CID22031505
Molecular FormulaC25H19Cl3FN5S
Molecular Weight546.89 g/mol
Exact Mass545.04
IUPAC Name6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine;trihydrochloride
SMILESCl.Cl.Cl.Fc1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4ccc(-c5ccccn5)s4)n3c2)cc1
InChIInChI=1S/C25H16FN5S.3ClH/c26-18-7-4-16(5-8-18)25-19(13-29-30-25)17-6-11-24-28-14-21(31(24)15-17)23-10-9-22(32-23)20-3-1-2-12-27-20;;;/h1-15H,(H,29,30);3*1H
InChIKeyDGMJMNZHRXQFCN-UHFFFAOYSA-N
XLogP7.59
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.89
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine;trihydrochloride?
The IUPAC name of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine;trihydrochloride (CID 22031505) is 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine;trihydrochloride.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine;trihydrochloride?
The canonical SMILES for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine;trihydrochloride is Cl.Cl.Cl.Fc1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4ccc(-c5ccccn5)s4)n3c2)cc1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine;trihydrochloride?
The InChIKey is DGMJMNZHRXQFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN5S.3ClH/c26-18-7-4-16(5-8-18)25-19(13-29-30-25)17-6-11-24-28-14-21(31(24)15-17)23-10-9-22(32-23)20-3-1-2-12-27-20;;;/h1-15H,(H,29,30);3*1H.
What are the key properties of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine;trihydrochloride?
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine;trihydrochloride has a molecular weight of 546.89 g/mol, XLogP of 7.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine;trihydrochloride is sourced from PubChem (CID 22031505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).