2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole

C20H14F3N9O — CID 170333487

IUPAC2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccn2nc(C3c4nc[nH]c4CCN3c3nnc(-c4cnccn4)o3)cc12
InChIInChI=1S/C20H14F3N9O/c21-20(22,23)11-2-1-6-32-15(11)8-13(30-32)17-16-12(26-10-27-16)3-7-31(17)19-29-28-18(33-19)14-9-24-4-5-25-14/h1-2,4-6,8-10,17H,3,7H2,(H,26,27)
InChIKeyKNOMQDFDSSRMSC-UHFFFAOYSA-N
MW453.39 g/mol
LogP3.07
Rot. Bonds3

About 2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole

2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole (PubChem CID 170333487) has the molecular formula C20H14F3N9O and a molecular weight of 453.39 g/mol. Its IUPAC name is 2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
PubChem CID170333487
Molecular FormulaC20H14F3N9O
Molecular Weight453.39 g/mol
Exact Mass453.13
IUPAC Name2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccn2nc(C3c4nc[nH]c4CCN3c3nnc(-c4cnccn4)o3)cc12
InChIInChI=1S/C20H14F3N9O/c21-20(22,23)11-2-1-6-32-15(11)8-13(30-32)17-16-12(26-10-27-16)3-7-31(17)19-29-28-18(33-19)14-9-24-4-5-25-14/h1-2,4-6,8-10,17H,3,7H2,(H,26,27)
InChIKeyKNOMQDFDSSRMSC-UHFFFAOYSA-N
XLogP3.07
TPSA113.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 169166041
2-(4-fluorophenyl)-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169165664
2-(4-fluorophenyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 170332884
2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 169165231
2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 176928815
(2-pyrazin-2-yl-1,3-oxazol-5-yl)-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165537
2-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 169165222
2-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrimidin-2-yl-1,3,4-oxadiazole
CID 170333305
2-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 170332873
2-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 170332789
2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyridazin-3-yl-1,3,4-oxadiazole
CID 170332867
2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-fluoro-3-pyridinyl)-1,3,4-oxadiazole
CID 176928518

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole (CID 170333487) is 2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole is FC(F)(F)c1cccn2nc(C3c4nc[nH]c4CCN3c3nnc(-c4cnccn4)o3)cc12.
What is the InChIKey of 2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?
The InChIKey is KNOMQDFDSSRMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N9O/c21-20(22,23)11-2-1-6-32-15(11)8-13(30-32)17-16-12(26-10-27-16)3-7-31(17)19-29-28-18(33-19)14-9-24-4-5-25-14/h1-2,4-6,8-10,17H,3,7H2,(H,26,27).
What are the key properties of 2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?
2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole has a molecular weight of 453.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 170333487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).