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

C17H9F6N5O — CID 155389142

IUPAC2-[[6-[3-(difluoromethyl)-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)cc1C(F)F
InChIInChI=1S/C17H9F6N5O/c18-11-2-1-8(3-10(11)15(19)20)9-4-13-12(24-5-9)6-25-28(13)7-14-26-27-16(29-14)17(21,22)23/h1-6,15H,7H2
InChIKeyVREULFZJZQPNST-UHFFFAOYSA-N
MW413.28 g/mol
LogP4.63
Rot. Bonds4

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

2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 155389142) has the molecular formula C17H9F6N5O and a molecular weight of 413.28 g/mol. Its IUPAC name is 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID155389142
Molecular FormulaC17H9F6N5O
Molecular Weight413.28 g/mol
Exact Mass413.07
IUPAC Name2-[[6-[3-(difluoromethyl)-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)cc1C(F)F
InChIInChI=1S/C17H9F6N5O/c18-11-2-1-8(3-10(11)15(19)20)9-4-13-12(24-5-9)6-25-28(13)7-14-26-27-16(29-14)17(21,22)23/h1-6,15H,7H2
InChIKeyVREULFZJZQPNST-UHFFFAOYSA-N
XLogP4.63
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 155389142) is 2-[[6-[3-(difluoromethyl)-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-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[6-[3-(difluoromethyl)-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)cc1C(F)F.
What is the InChIKey of 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is VREULFZJZQPNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6N5O/c18-11-2-1-8(3-10(11)15(19)20)9-4-13-12(24-5-9)6-25-28(13)7-14-26-27-16(29-14)17(21,22)23/h1-6,15H,7H2.
What are the key properties of 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 413.28 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 155389142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).