2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C17H9F6N5O2 — CID 155389708

IUPAC2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2cnc3cnn(Cc4nnc(C(F)(F)F)o4)c3c2)cc1OC(F)F
InChIInChI=1S/C17H9F6N5O2/c18-10-2-1-8(4-13(10)29-16(19)20)9-3-12-11(24-5-9)6-25-28(12)7-14-26-27-15(30-14)17(21,22)23/h1-6,16H,7H2
InChIKeyJVQGMCWPAGKWNO-UHFFFAOYSA-N
MW429.28 g/mol
LogP4.29
Rot. Bonds5

About 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 155389708) has the molecular formula C17H9F6N5O2 and a molecular weight of 429.28 g/mol. Its IUPAC name is 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID155389708
Molecular FormulaC17H9F6N5O2
Molecular Weight429.28 g/mol
Exact Mass429.07
IUPAC Name2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2cnc3cnn(Cc4nnc(C(F)(F)F)o4)c3c2)cc1OC(F)F
InChIInChI=1S/C17H9F6N5O2/c18-10-2-1-8(4-13(10)29-16(19)20)9-3-12-11(24-5-9)6-25-28(12)7-14-26-27-15(30-14)17(21,22)23/h1-6,16H,7H2
InChIKeyJVQGMCWPAGKWNO-UHFFFAOYSA-N
XLogP4.29
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.28
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 155389708) is 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is Fc1ccc(-c2cnc3cnn(Cc4nnc(C(F)(F)F)o4)c3c2)cc1OC(F)F.
What is the InChIKey of 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is JVQGMCWPAGKWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6N5O2/c18-10-2-1-8(4-13(10)29-16(19)20)9-3-12-11(24-5-9)6-25-28(12)7-14-26-27-15(30-14)17(21,22)23/h1-6,16H,7H2.
What are the key properties of 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 429.28 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 155389708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).