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

C19H14Cl3F3N6O — CID 10142042

IUPAC5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole;trihydrochloride
SMILESCl.Cl.Cl.Fc1ccccc1-c1[nH]ncc1-c1ccc2ncc(-c3noc(C(F)F)n3)n2c1
InChIInChI=1S/C19H11F3N6O.3ClH/c20-13-4-2-1-3-11(13)16-12(7-24-26-16)10-5-6-15-23-8-14(28(15)9-10)18-25-19(17(21)22)29-27-18;;;/h1-9,17H,(H,24,26);3*1H
InChIKeyFVAXJPTYGFQKEX-UHFFFAOYSA-N
MW505.72 g/mol
LogP5.78
Rot. Bonds4

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

5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole;trihydrochloride (PubChem CID 10142042) has the molecular formula C19H14Cl3F3N6O and a molecular weight of 505.72 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole;trihydrochloride.

Molecular Properties

Compound Name5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole;trihydrochloride
PubChem CID10142042
Molecular FormulaC19H14Cl3F3N6O
Molecular Weight505.72 g/mol
Exact Mass504.02
IUPAC Name5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole;trihydrochloride
SMILESCl.Cl.Cl.Fc1ccccc1-c1[nH]ncc1-c1ccc2ncc(-c3noc(C(F)F)n3)n2c1
InChIInChI=1S/C19H11F3N6O.3ClH/c20-13-4-2-1-3-11(13)16-12(7-24-26-16)10-5-6-15-23-8-14(28(15)9-10)18-25-19(17(21)22)29-27-18;;;/h1-9,17H,(H,24,26);3*1H
InChIKeyFVAXJPTYGFQKEX-UHFFFAOYSA-N
XLogP5.78
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.72
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole;trihydrochloride with MolForge

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Related Compounds

MK-4256
CID 56927659
3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
CID 121249896
US11098041, Example 165
CID 121249989
US11098041, Example 116
CID 121249996
3-[(1S,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
CID 71454093
3-[(1R,3S)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
CID 71462983
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CID 118538627

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole;trihydrochloride?
The IUPAC name of 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole;trihydrochloride (CID 10142042) is 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole;trihydrochloride.
What is the SMILES notation for 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole;trihydrochloride?
The canonical SMILES for 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole;trihydrochloride is Cl.Cl.Cl.Fc1ccccc1-c1[nH]ncc1-c1ccc2ncc(-c3noc(C(F)F)n3)n2c1.
What is the InChIKey of 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole;trihydrochloride?
The InChIKey is FVAXJPTYGFQKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N6O.3ClH/c20-13-4-2-1-3-11(13)16-12(7-24-26-16)10-5-6-15-23-8-14(28(15)9-10)18-25-19(17(21)22)29-27-18;;;/h1-9,17H,(H,24,26);3*1H.
What are the key properties of 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole;trihydrochloride?
5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole;trihydrochloride has a molecular weight of 505.72 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole;trihydrochloride is sourced from PubChem (CID 10142042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).