6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C28H35N7O2 — CID 77465595

About 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 77465595) has the molecular formula C28H35N7O2 and a molecular weight of 501.64 g/mol. Its IUPAC name is 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 77465595
• Molecular Formula: C28H35N7O2
• Molecular Weight: 501.64 g/mol
• Exact Mass: 501.29
• IUPAC Name: 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cccc(CN(C)CCN)c2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C28H35N7O2/c1-17(2)35-26-24(15-31-35)22(27(36)30-14-23-18(3)11-19(4)32-28(23)37)13-25(33-26)21-8-6-7-20(12-21)16-34(5)10-9-29/h6-8,11-13,15,17,23H,9-10,14,16,29H2,1-5H3,(H,30,36)
• InChIKey: OLLCSKSBKFKBSB-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 118.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.64
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 77465595) is 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cccc(CN(C)CCN)c2)nc2c1cnn2C(C)C.

What is the InChIKey of 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is OLLCSKSBKFKBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O2/c1-17(2)35-26-24(15-31-35)22(27(36)30-14-23-18(3)11-19(4)32-28(23)37)13-25(33-26)21-8-6-7-20(12-21)16-34(5)10-9-29/h6-8,11-13,15,17,23H,9-10,14,16,29H2,1-5H3,(H,30,36).

What are the key properties of 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 501.64 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 77465595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).