4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C24H32N8OS — CID 167495388

About 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 167495388) has the molecular formula C24H32N8OS and a molecular weight of 480.64 g/mol. Its IUPAC name is 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 167495388
• Molecular Formula: C24H32N8OS
• Molecular Weight: 480.64 g/mol
• Exact Mass: 480.24
• IUPAC Name: 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• SMILES: CNCc1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nnc(SC)n3C(C)C)n1)C2=O
• InChI: InChI=1S/C24H32N8OS/c1-14(2)30(6)21-11-16-17(19(27-21)12-25-5)13-31(23(16)33)20-10-8-9-18(26-20)22-28-29-24(34-7)32(22)15(3)4/h8-11,14-15,25H,12-13H2,1-7H3
• InChIKey: OQWZGLAYECWPAW-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.64
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

The IUPAC name of 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 167495388) is 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

What is the SMILES notation for 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

The canonical SMILES for 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CNCc1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nnc(SC)n3C(C)C)n1)C2=O.

What is the InChIKey of 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

The InChIKey is OQWZGLAYECWPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8OS/c1-14(2)30(6)21-11-16-17(19(27-21)12-25-5)13-31(23(16)33)20-10-8-9-18(26-20)22-28-29-24(34-7)32(22)15(3)4/h8-11,14-15,25H,12-13H2,1-7H3.

What are the key properties of 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 480.64 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 167495388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).