5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C25H28N8O — CID 138692659

IUPAC5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2cccn3c(C)nnc23)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C25H28N8O/c1-6-34-25-19(10-7-11-26-25)20-13-21(23-22(28-20)16(4)31-33(23)15(2)3)27-14-18-9-8-12-32-17(5)29-30-24(18)32/h7-13,15H,6,14H2,1-5H3,(H,27,28)
InChIKeyUIVFRKVIYRJRGX-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.74
Rot. Bonds7

About 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692659) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692659
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC Name5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2cccn3c(C)nnc23)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C25H28N8O/c1-6-34-25-19(10-7-11-26-25)20-13-21(23-22(28-20)16(4)31-33(23)15(2)3)27-14-18-9-8-12-32-17(5)29-30-24(18)32/h7-13,15H,6,14H2,1-5H3,(H,27,28)
InChIKeyUIVFRKVIYRJRGX-UHFFFAOYSA-N
XLogP4.74
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 138692659) is 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NCc2cccn3c(C)nnc23)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is UIVFRKVIYRJRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c1-6-34-25-19(10-7-11-26-25)20-13-21(23-22(28-20)16(4)31-33(23)15(2)3)27-14-18-9-8-12-32-17(5)29-30-24(18)32/h7-13,15H,6,14H2,1-5H3,(H,27,28).
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 456.55 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).