ethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole

C20H24N6O — CID 158723288

IUPACethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole
SMILESCC.Cc1nc(-c2ccnc(-c3nn(C)c4c(C)c(C)c(C)nc34)c2)no1
InChIInChI=1S/C18H18N6O.C2H6/c1-9-10(2)17-16(20-11(9)3)15(22-24(17)5)14-8-13(6-7-19-14)18-21-12(4)25-23-18;1-2/h6-8H,1-5H3;1-2H3
InChIKeyIKEKADJRHGTQEP-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.34
Rot. Bonds2

About ethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole

ethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole (PubChem CID 158723288) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is ethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Nameethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole
PubChem CID158723288
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Nameethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole
SMILESCC.Cc1nc(-c2ccnc(-c3nn(C)c4c(C)c(C)c(C)nc34)c2)no1
InChIInChI=1S/C18H18N6O.C2H6/c1-9-10(2)17-16(20-11(9)3)15(22-24(17)5)14-8-13(6-7-19-14)18-21-12(4)25-23-18;1-2/h6-8H,1-5H3;1-2H3
InChIKeyIKEKADJRHGTQEP-UHFFFAOYSA-N
XLogP4.34
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of ethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole (CID 158723288) is ethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for ethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for ethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole is CC.Cc1nc(-c2ccnc(-c3nn(C)c4c(C)c(C)c(C)nc34)c2)no1.
What is the InChIKey of ethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is IKEKADJRHGTQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O.C2H6/c1-9-10(2)17-16(20-11(9)3)15(22-24(17)5)14-8-13(6-7-19-14)18-21-12(4)25-23-18;1-2/h6-8H,1-5H3;1-2H3.
What are the key properties of ethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole?
ethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 364.45 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3-[2-(1,5,6,7-tetramethylpyrazolo[4,5-b]pyridin-3-yl)-4-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 158723288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).