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

C18H15F2N5O — CID 155389070

IUPAC2-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ncc3ncc(-c4cccc(C(C)(F)F)c4)cc32)o1
InChIInChI=1S/C18H15F2N5O/c1-11-23-24-17(26-11)10-25-16-7-13(8-21-15(16)9-22-25)12-4-3-5-14(6-12)18(2,19)20/h3-9H,10H2,1-2H3
InChIKeyACYIBXGPBVQTTP-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.95
Rot. Bonds4

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

2-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 155389070) has the molecular formula C18H15F2N5O and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID155389070
Molecular FormulaC18H15F2N5O
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name2-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ncc3ncc(-c4cccc(C(C)(F)F)c4)cc32)o1
InChIInChI=1S/C18H15F2N5O/c1-11-23-24-17(26-11)10-25-16-7-13(8-21-15(16)9-22-25)12-4-3-5-14(6-12)18(2,19)20/h3-9H,10H2,1-2H3
InChIKeyACYIBXGPBVQTTP-UHFFFAOYSA-N
XLogP3.95
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.95
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]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 155389070) is 2-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Cn2ncc3ncc(-c4cccc(C(C)(F)F)c4)cc32)o1.
What is the InChIKey of 2-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is ACYIBXGPBVQTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O/c1-11-23-24-17(26-11)10-25-16-7-13(8-21-15(16)9-22-25)12-4-3-5-14(6-12)18(2,19)20/h3-9H,10H2,1-2H3.
What are the key properties of 2-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 355.35 g/mol, XLogP of 3.95, 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]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 155389070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).