5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C21H25N7O2 — CID 138692780

IUPAC5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1cnccc1-c1cc(NCc2nnc(C)o2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C21H25N7O2/c1-6-29-18-10-22-8-7-15(18)16-9-17(23-11-19-26-25-14(5)30-19)21-20(24-16)13(4)27-28(21)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,23,24)
InChIKeyOAHSZSQVXDBEJG-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.08
Rot. Bonds7

About 5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692780) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692780
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1cnccc1-c1cc(NCc2nnc(C)o2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C21H25N7O2/c1-6-29-18-10-22-8-7-15(18)16-9-17(23-11-19-26-25-14(5)30-19)21-20(24-16)13(4)27-28(21)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,23,24)
InChIKeyOAHSZSQVXDBEJG-UHFFFAOYSA-N
XLogP4.08
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 138692780) is 5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1cnccc1-c1cc(NCc2nnc(C)o2)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is OAHSZSQVXDBEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-6-29-18-10-22-8-7-15(18)16-9-17(23-11-19-26-25-14(5)30-19)21-20(24-16)13(4)27-28(21)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,23,24).
What are the key properties of 5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 407.48 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).