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

C25H31F3N8O — CID 146611878

About 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-[4-[(3R)-1,1,1-trifluoropentan-3-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-[4-[(3R)-1,1,1-trifluoropentan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146611878) has the molecular formula C25H31F3N8O and a molecular weight of 516.57 g/mol. Its IUPAC name is 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-[4-[(3R)-1,1,1-trifluoropentan-3-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-[4-[(3R)-1,1,1-trifluoropentan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 146611878
• Molecular Formula: C25H31F3N8O
• Molecular Weight: 516.57 g/mol
• Exact Mass: 516.26
• IUPAC Name: 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-[4-[(3R)-1,1,1-trifluoropentan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• SMILES: CC[C@H](CC(F)(F)F)n1cnnc1-c1cccc(N2Cc3c(cc(N(C)C(C)C)nc3CNC)C2=O)n1
• InChI: InChI=1S/C25H31F3N8O/c1-6-16(11-25(26,27)28)36-14-30-33-23(36)19-8-7-9-21(31-19)35-13-18-17(24(35)37)10-22(34(5)15(2)3)32-20(18)12-29-4/h7-10,14-16,29H,6,11-13H2,1-5H3/t16-/m1/s1
• InChIKey: FRVXTMYFQLURQU-MRXNPFEDSA-N
• XLogP: 4.36
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.57
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-[4-[(3R)-1,1,1-trifluoropentan-3-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-[4-[(3R)-1,1,1-trifluoropentan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146611878) is 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-[4-[(3R)-1,1,1-trifluoropentan-3-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-[4-[(3R)-1,1,1-trifluoropentan-3-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-[4-[(3R)-1,1,1-trifluoropentan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CC[C@H](CC(F)(F)F)n1cnnc1-c1cccc(N2Cc3c(cc(N(C)C(C)C)nc3CNC)C2=O)n1.

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

The InChIKey is FRVXTMYFQLURQU-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H31F3N8O/c1-6-16(11-25(26,27)28)36-14-30-33-23(36)19-8-7-9-21(31-19)35-13-18-17(24(35)37)10-22(34(5)15(2)3)32-20(18)12-29-4/h7-10,14-16,29H,6,11-13H2,1-5H3/t16-/m1/s1.

What are the key properties of 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-[4-[(3R)-1,1,1-trifluoropentan-3-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-[4-[(3R)-1,1,1-trifluoropentan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 516.57 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-[4-[(3R)-1,1,1-trifluoropentan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146611878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).