4-(methylaminomethyl)-6-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C24H27F3N8O — CID 146572154

About 4-(methylaminomethyl)-6-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-(methylaminomethyl)-6-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146572154) has the molecular formula C24H27F3N8O and a molecular weight of 500.53 g/mol. Its IUPAC name is 4-(methylaminomethyl)-6-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-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-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 146572154
• Molecular Formula: C24H27F3N8O
• Molecular Weight: 500.53 g/mol
• Exact Mass: 500.23
• IUPAC Name: 4-(methylaminomethyl)-6-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• SMILES: CNCc1nc(N2CCCC2)cc2c1CN(c1cccc(-c3nncn3C(C)CC(F)(F)F)n1)C2=O
• InChI: InChI=1S/C24H27F3N8O/c1-15(11-24(25,26)27)35-14-29-32-22(35)18-6-5-7-20(30-18)34-13-17-16(23(34)36)10-21(31-19(17)12-28-2)33-8-3-4-9-33/h5-7,10,14-15,28H,3-4,8-9,11-13H2,1-2H3
• InChIKey: BPZTXDXPWZYJON-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.53
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-6-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-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-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146572154) is 4-(methylaminomethyl)-6-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-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-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-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-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CNCc1nc(N2CCCC2)cc2c1CN(c1cccc(-c3nncn3C(C)CC(F)(F)F)n1)C2=O.

What is the InChIKey of 4-(methylaminomethyl)-6-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

The InChIKey is BPZTXDXPWZYJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N8O/c1-15(11-24(25,26)27)35-14-29-32-22(35)18-6-5-7-20(30-18)34-13-17-16(23(34)36)10-21(31-19(17)12-28-2)33-8-3-4-9-33/h5-7,10,14-15,28H,3-4,8-9,11-13H2,1-2H3.

What are the key properties of 4-(methylaminomethyl)-6-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

4-(methylaminomethyl)-6-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 500.53 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(methylaminomethyl)-6-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146572154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).