1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine

C23H25N7O — CID 178061530

IUPAC1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine
SMILESCn1nc(-c2ccccc2)cc1Nc1cc(NC2CC3(COC3)C2)c2cnn(C)c2n1
InChIInChI=1S/C23H25N7O/c1-29-21(9-18(28-29)15-6-4-3-5-7-15)26-20-8-19(17-12-24-30(2)22(17)27-20)25-16-10-23(11-16)13-31-14-23/h3-9,12,16H,10-11,13-14H2,1-2H3,(H2,25,26,27)
InChIKeyQGZLLQSSEXPOQN-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.70
Rot. Bonds5

About 1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine

1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine (PubChem CID 178061530) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine.

Molecular Properties

Compound Name1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine
PubChem CID178061530
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine
SMILESCn1nc(-c2ccccc2)cc1Nc1cc(NC2CC3(COC3)C2)c2cnn(C)c2n1
InChIInChI=1S/C23H25N7O/c1-29-21(9-18(28-29)15-6-4-3-5-7-15)26-20-8-19(17-12-24-30(2)22(17)27-20)25-16-10-23(11-16)13-31-14-23/h3-9,12,16H,10-11,13-14H2,1-2H3,(H2,25,26,27)
InChIKeyQGZLLQSSEXPOQN-UHFFFAOYSA-N
XLogP3.70
TPSA81.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine 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-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine?
The IUPAC name of 1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine (CID 178061530) is 1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine.
What is the SMILES notation for 1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine?
The canonical SMILES for 1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine is Cn1nc(-c2ccccc2)cc1Nc1cc(NC2CC3(COC3)C2)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine?
The InChIKey is QGZLLQSSEXPOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-29-21(9-18(28-29)15-6-4-3-5-7-15)26-20-8-19(17-12-24-30(2)22(17)27-20)25-16-10-23(11-16)13-31-14-23/h3-9,12,16H,10-11,13-14H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine?
1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine has a molecular weight of 415.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-N-(1-methyl-3-phenylpyrazol-5-yl)-4-N-(2-oxaspiro[3.3]heptan-6-yl)pyrazolo[5,4-b]pyridine-4,6-diamine is sourced from PubChem (CID 178061530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).