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

C20H24N8O — CID 138692726

IUPAC5-(3-methoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C20H24N8O/c1-12(2)28-19-17(21-9-14-10-23-27(4)11-14)8-16(24-18(19)13(3)26-28)15-6-7-22-25-20(15)29-5/h6-8,10-12H,9H2,1-5H3,(H,21,24)
InChIKeyZPDPMYSSSZGQNO-UHFFFAOYSA-N
MW392.47 g/mol
LogP3.13
Rot. Bonds6

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

5-(3-methoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692726) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 5-(3-methoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(3-methoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692726
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name5-(3-methoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C20H24N8O/c1-12(2)28-19-17(21-9-14-10-23-27(4)11-14)8-16(24-18(19)13(3)26-28)15-6-7-22-25-20(15)29-5/h6-8,10-12H,9H2,1-5H3,(H,21,24)
InChIKeyZPDPMYSSSZGQNO-UHFFFAOYSA-N
XLogP3.13
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(3-methoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 138692726) is 5-(3-methoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(3-methoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(3-methoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is COc1nnccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 5-(3-methoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is ZPDPMYSSSZGQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-12(2)28-19-17(21-9-14-10-23-27(4)11-14)8-16(24-18(19)13(3)26-28)15-6-7-22-25-20(15)29-5/h6-8,10-12H,9H2,1-5H3,(H,21,24).
What are the key properties of 5-(3-methoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(3-methoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 392.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).