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

C27H30N8O — CID 167495101

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

4-(methylaminomethyl)-2-[6-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 167495101) has the molecular formula C27H30N8O and a molecular weight of 482.59 g/mol. Its IUPAC name is 4-(methylaminomethyl)-2-[6-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 4-(methylaminomethyl)-2-[6-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 167495101
• Molecular Formula: C27H30N8O
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.25
• IUPAC Name: 4-(methylaminomethyl)-2-[6-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one
• SMILES: CNCc1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nnc(C)n3-c3ccccc3)n1)C2=O
• InChI: InChI=1S/C27H30N8O/c1-17(2)33(5)25-14-20-21(23(30-25)15-28-4)16-34(27(20)36)24-13-9-12-22(29-24)26-32-31-18(3)35(26)19-10-7-6-8-11-19/h6-14,17,28H,15-16H2,1-5H3
• InChIKey: QBULTEJXLJWIQM-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-(methylaminomethyl)-2-[6-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 167495101) is 4-(methylaminomethyl)-2-[6-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one.

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

The canonical SMILES for 4-(methylaminomethyl)-2-[6-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one is CNCc1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nnc(C)n3-c3ccccc3)n1)C2=O.

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

The InChIKey is QBULTEJXLJWIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O/c1-17(2)33(5)25-14-20-21(23(30-25)15-28-4)16-34(27(20)36)24-13-9-12-22(29-24)26-32-31-18(3)35(26)19-10-7-6-8-11-19/h6-14,17,28H,15-16H2,1-5H3.

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

4-(methylaminomethyl)-2-[6-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 482.59 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(methylaminomethyl)-2-[6-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 167495101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).