N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine

C23H34N6O — CID 131980848

About N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 131980848) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine
• PubChem CID: 131980848
• Molecular Formula: C23H34N6O
• Molecular Weight: 410.57 g/mol
• Exact Mass: 410.28
• IUPAC Name: N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine
• SMILES: CNCCN(C)Cc1cccc(-c2cc(CN(C)OC)c3cnn(C(C)C)c3n2)c1
• InChI: InChI=1S/C23H34N6O/c1-17(2)29-23-21(14-25-29)20(16-28(5)30-6)13-22(26-23)19-9-7-8-18(12-19)15-27(4)11-10-24-3/h7-9,12-14,17,24H,10-11,15-16H2,1-6H3
• InChIKey: YDKQOCKMEIEIMQ-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 58.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.57
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine?

The IUPAC name of N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 131980848) is N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine.

What is the SMILES notation for N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine?

The canonical SMILES for N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1cccc(-c2cc(CN(C)OC)c3cnn(C(C)C)c3n2)c1.

What is the InChIKey of N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine?

The InChIKey is YDKQOCKMEIEIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O/c1-17(2)29-23-21(14-25-29)20(16-28(5)30-6)13-22(26-23)19-9-7-8-18(12-19)15-27(4)11-10-24-3/h7-9,12-14,17,24H,10-11,15-16H2,1-6H3.

What are the key properties of N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine?

N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 410.57 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 131980848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).