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

C22H28N8O — CID 138692670

IUPAC1-butan-2-yl-5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)CC
InChIInChI=1S/C22H28N8O/c1-6-14(3)30-21-19(23-11-16-12-25-29(5)13-16)10-18(26-20(21)15(4)28-30)17-8-9-24-27-22(17)31-7-2/h8-10,12-14H,6-7,11H2,1-5H3,(H,23,26)
InChIKeyUXVRWXLBBBUCGV-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.91
Rot. Bonds8

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

1-butan-2-yl-5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692670) has the molecular formula C22H28N8O and a molecular weight of 420.52 g/mol. Its IUPAC name is 1-butan-2-yl-5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692670
Molecular FormulaC22H28N8O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC Name1-butan-2-yl-5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)CC
InChIInChI=1S/C22H28N8O/c1-6-14(3)30-21-19(23-11-16-12-25-29(5)13-16)10-18(26-20(21)15(4)28-30)17-8-9-24-27-22(17)31-7-2/h8-10,12-14H,6-7,11H2,1-5H3,(H,23,26)
InChIKeyUXVRWXLBBBUCGV-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

Analyze 1-butan-2-yl-5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 1-butan-2-yl-5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine (CID 138692670) is 1-butan-2-yl-5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 1-butan-2-yl-5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 1-butan-2-yl-5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine is CCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)CC.
What is the InChIKey of 1-butan-2-yl-5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is UXVRWXLBBBUCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O/c1-6-14(3)30-21-19(23-11-16-12-25-29(5)13-16)10-18(26-20(21)15(4)28-30)17-8-9-24-27-22(17)31-7-2/h8-10,12-14H,6-7,11H2,1-5H3,(H,23,26).
What are the key properties of 1-butan-2-yl-5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
1-butan-2-yl-5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]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 1-butan-2-yl-5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).