N-[(2-amino-4,6-dimethyl-3-pyridinyl)methyl]-6-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C30H38N8O2 — CID 134525619

About N-[(2-amino-4,6-dimethyl-3-pyridinyl)methyl]-6-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(2-amino-4,6-dimethyl-3-pyridinyl)methyl]-6-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134525619) has the molecular formula C30H38N8O2 and a molecular weight of 542.69 g/mol. Its IUPAC name is N-[(2-amino-4,6-dimethyl-3-pyridinyl)methyl]-6-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2-amino-4,6-dimethyl-3-pyridinyl)methyl]-6-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 134525619
• Molecular Formula: C30H38N8O2
• Molecular Weight: 542.69 g/mol
• Exact Mass: 542.31
• IUPAC Name: N-[(2-amino-4,6-dimethyl-3-pyridinyl)methyl]-6-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)c2cc(-c3cccc(C(=O)NCCCN(C)C)c3)nc3c2cnn3C(C)C)c(N)n1
• InChI: InChI=1S/C30H38N8O2/c1-18(2)38-28-25(17-34-38)23(30(40)33-16-24-19(3)13-20(4)35-27(24)31)15-26(36-28)21-9-7-10-22(14-21)29(39)32-11-8-12-37(5)6/h7,9-10,13-15,17-18H,8,11-12,16H2,1-6H3,(H2,31,35)(H,32,39)(H,33,40)
• InChIKey: BNZODTYYBLMCDC-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 131.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.69
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-4,6-dimethyl-3-pyridinyl)methyl]-6-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(2-amino-4,6-dimethyl-3-pyridinyl)methyl]-6-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134525619) is N-[(2-amino-4,6-dimethyl-3-pyridinyl)methyl]-6-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(2-amino-4,6-dimethyl-3-pyridinyl)methyl]-6-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(2-amino-4,6-dimethyl-3-pyridinyl)methyl]-6-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3cccc(C(=O)NCCCN(C)C)c3)nc3c2cnn3C(C)C)c(N)n1.

What is the InChIKey of N-[(2-amino-4,6-dimethyl-3-pyridinyl)methyl]-6-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is BNZODTYYBLMCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N8O2/c1-18(2)38-28-25(17-34-38)23(30(40)33-16-24-19(3)13-20(4)35-27(24)31)15-26(36-28)21-9-7-10-22(14-21)29(39)32-11-8-12-37(5)6/h7,9-10,13-15,17-18H,8,11-12,16H2,1-6H3,(H2,31,35)(H,32,39)(H,33,40).

What are the key properties of N-[(2-amino-4,6-dimethyl-3-pyridinyl)methyl]-6-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[(2-amino-4,6-dimethyl-3-pyridinyl)methyl]-6-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 542.69 g/mol, XLogP of 3.88, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-amino-4,6-dimethyl-3-pyridinyl)methyl]-6-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134525619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).