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

C22H28N8O — CID 138692769

IUPAC3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxypyridazin-4-yl)pyrazolo[4,5-b]pyridin-7-amine
SMILESCCCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C22H28N8O/c1-6-9-31-22-17(7-8-24-27-22)18-10-19(23-11-16-12-25-29(5)13-16)21-20(26-18)15(4)28-30(21)14(2)3/h7-8,10,12-14H,6,9,11H2,1-5H3,(H,23,26)
InChIKeyRJECUSNDCHWSNO-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.91
Rot. Bonds8

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

3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxypyridazin-4-yl)pyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692769) has the molecular formula C22H28N8O and a molecular weight of 420.52 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxypyridazin-4-yl)pyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxypyridazin-4-yl)pyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692769
Molecular FormulaC22H28N8O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxypyridazin-4-yl)pyrazolo[4,5-b]pyridin-7-amine
SMILESCCCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C22H28N8O/c1-6-9-31-22-17(7-8-24-27-22)18-10-19(23-11-16-12-25-29(5)13-16)21-20(26-18)15(4)28-30(21)14(2)3/h7-8,10,12-14H,6,9,11H2,1-5H3,(H,23,26)
InChIKeyRJECUSNDCHWSNO-UHFFFAOYSA-N
XLogP3.91
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxypyridazin-4-yl)pyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxypyridazin-4-yl)pyrazolo[4,5-b]pyridin-7-amine (CID 138692769) is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxypyridazin-4-yl)pyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxypyridazin-4-yl)pyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxypyridazin-4-yl)pyrazolo[4,5-b]pyridin-7-amine is CCCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxypyridazin-4-yl)pyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is RJECUSNDCHWSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O/c1-6-9-31-22-17(7-8-24-27-22)18-10-19(23-11-16-12-25-29(5)13-16)21-20(26-18)15(4)28-30(21)14(2)3/h7-8,10,12-14H,6,9,11H2,1-5H3,(H,23,26).
What are the key properties of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxypyridazin-4-yl)pyrazolo[4,5-b]pyridin-7-amine?
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxypyridazin-4-yl)pyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 420.52 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxypyridazin-4-yl)pyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).