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

C17H14F3N7O2 — CID 170333022

IUPAC2-methyl-5-[(4S)-4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
SMILESCc1nnc(N2CCc3[nH]cnc3[C@H]2c2cc3c(OC(F)(F)F)cccn3n2)o1
InChIInChI=1S/C17H14F3N7O2/c1-9-23-24-16(28-9)26-6-4-10-14(22-8-21-10)15(26)11-7-12-13(29-17(18,19)20)3-2-5-27(12)25-11/h2-3,5,7-8,15H,4,6H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyQEPKHBZIMQWHCL-OAHLLOKOSA-N
MW405.34 g/mol
LogP2.80
Rot. Bonds3

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

2-methyl-5-[(4S)-4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole (PubChem CID 170333022) has the molecular formula C17H14F3N7O2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 2-methyl-5-[(4S)-4-[4-(trifluoromethoxy)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-methyl-5-[(4S)-4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
PubChem CID170333022
Molecular FormulaC17H14F3N7O2
Molecular Weight405.34 g/mol
Exact Mass405.12
IUPAC Name2-methyl-5-[(4S)-4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
SMILESCc1nnc(N2CCc3[nH]cnc3[C@H]2c2cc3c(OC(F)(F)F)cccn3n2)o1
InChIInChI=1S/C17H14F3N7O2/c1-9-23-24-16(28-9)26-6-4-10-14(22-8-21-10)15(26)11-7-12-13(29-17(18,19)20)3-2-5-27(12)25-11/h2-3,5,7-8,15H,4,6H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyQEPKHBZIMQWHCL-OAHLLOKOSA-N
XLogP2.80
TPSA97.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-5-[(4S)-4-[4-(trifluoromethoxy)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-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-methyl-1,3,4-oxadiazole
CID 169165373
2-(1,1-difluoroethyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169166049
2-(1,1-difluoroethyl)-5-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169165119
2-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 170333365
2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169166186
2-cyclopropyl-5-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 170333480
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332924
2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 169165430
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-(1-methylcyclopropyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169165355
2-cyclopropyl-5-[4-(4-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 170332371

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4S)-4-[4-(trifluoromethoxy)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-methyl-5-[(4S)-4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole (CID 170333022) is 2-methyl-5-[(4S)-4-[4-(trifluoromethoxy)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-methyl-5-[(4S)-4-[4-(trifluoromethoxy)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-methyl-5-[(4S)-4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole is Cc1nnc(N2CCc3[nH]cnc3[C@H]2c2cc3c(OC(F)(F)F)cccn3n2)o1.
What is the InChIKey of 2-methyl-5-[(4S)-4-[4-(trifluoromethoxy)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 QEPKHBZIMQWHCL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14F3N7O2/c1-9-23-24-16(28-9)26-6-4-10-14(22-8-21-10)15(26)11-7-12-13(29-17(18,19)20)3-2-5-27(12)25-11/h2-3,5,7-8,15H,4,6H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 2-methyl-5-[(4S)-4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?
2-methyl-5-[(4S)-4-[4-(trifluoromethoxy)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 405.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4S)-4-[4-(trifluoromethoxy)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 170333022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).