2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

C18H14F3N5O — CID 155389105

IUPAC2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2nc(F)c3ncc(-c4cccc(C(C)(F)F)c4)cc32)o1
InChIInChI=1S/C18H14F3N5O/c1-10-23-24-15(27-10)9-26-14-7-12(8-22-16(14)17(19)25-26)11-4-3-5-13(6-11)18(2,20)21/h3-8H,9H2,1-2H3
InChIKeyRKWXMBKBNNJLNO-UHFFFAOYSA-N
MW373.34 g/mol
LogP4.09
Rot. Bonds4

About 2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 155389105) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is 2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID155389105
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC Name2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2nc(F)c3ncc(-c4cccc(C(C)(F)F)c4)cc32)o1
InChIInChI=1S/C18H14F3N5O/c1-10-23-24-15(27-10)9-26-14-7-12(8-22-16(14)17(19)25-26)11-4-3-5-13(6-11)18(2,20)21/h3-8H,9H2,1-2H3
InChIKeyRKWXMBKBNNJLNO-UHFFFAOYSA-N
XLogP4.09
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 155389105) is 2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Cn2nc(F)c3ncc(-c4cccc(C(C)(F)F)c4)cc32)o1.
What is the InChIKey of 2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is RKWXMBKBNNJLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c1-10-23-24-15(27-10)9-26-14-7-12(8-22-16(14)17(19)25-26)11-4-3-5-13(6-11)18(2,20)21/h3-8H,9H2,1-2H3.
What are the key properties of 2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 373.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(1,1-difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 155389105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).