1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine

C24H27N11O — CID 178061623

About 1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine

1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine (PubChem CID 178061623) has the molecular formula C24H27N11O and a molecular weight of 485.56 g/mol. Its IUPAC name is 1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine.

Molecular Properties

• Compound Name: 1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine
• PubChem CID: 178061623
• Molecular Formula: C24H27N11O
• Molecular Weight: 485.56 g/mol
• Exact Mass: 485.24
• IUPAC Name: 1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine
• SMILES: Cn1nc(-c2ccc3cnn(C)c3n2)cc1Nc1cc(NC2CN(C3COC3)C2)c2cnn(C)c2n1
• InChI: InChI=1S/C24H27N11O/c1-32-22(7-20(31-32)18-5-4-14-8-25-33(2)23(14)28-18)29-21-6-19(17-9-26-34(3)24(17)30-21)27-15-10-35(11-15)16-12-36-13-16/h4-9,15-16H,10-13H2,1-3H3,(H2,27,29,30)
• InChIKey: OZDYCBMICTURDZ-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 115.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.56
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine?

The IUPAC name of 1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine (CID 178061623) is 1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine.

What is the SMILES notation for 1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine?

The canonical SMILES for 1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine is Cn1nc(-c2ccc3cnn(C)c3n2)cc1Nc1cc(NC2CN(C3COC3)C2)c2cnn(C)c2n1.

What is the InChIKey of 1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine?

The InChIKey is OZDYCBMICTURDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N11O/c1-32-22(7-20(31-32)18-5-4-14-8-25-33(2)23(14)28-18)29-21-6-19(17-9-26-34(3)24(17)30-21)27-15-10-35(11-15)16-12-36-13-16/h4-9,15-16H,10-13H2,1-3H3,(H2,27,29,30).

What are the key properties of 1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine?

1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine has a molecular weight of 485.56 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine is sourced from PubChem (CID 178061623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).