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

C21H26N8O — CID 138692657

IUPAC5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1nnccc1-c1cc(NCc2ccn(C)n2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C21H26N8O/c1-6-30-21-16(7-9-23-25-21)17-11-18(22-12-15-8-10-28(5)27-15)20-19(24-17)14(4)26-29(20)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,22,24)
InChIKeyDXLJOZZMNNLQIG-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.52
Rot. Bonds7

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

5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692657) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692657
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1nnccc1-c1cc(NCc2ccn(C)n2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C21H26N8O/c1-6-30-21-16(7-9-23-25-21)17-11-18(22-12-15-8-10-28(5)27-15)20-19(24-17)14(4)26-29(20)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,22,24)
InChIKeyDXLJOZZMNNLQIG-UHFFFAOYSA-N
XLogP3.52
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 138692657) is 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1nnccc1-c1cc(NCc2ccn(C)n2)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is DXLJOZZMNNLQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O/c1-6-30-21-16(7-9-23-25-21)17-11-18(22-12-15-8-10-28(5)27-15)20-19(24-17)14(4)26-29(20)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,22,24).
What are the key properties of 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 406.49 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).