4-(1-aminopropa-1,2-dienyl)-6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C23H26N8O — CID 176539816

About 4-(1-aminopropa-1,2-dienyl)-6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-(1-aminopropa-1,2-dienyl)-6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 176539816) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 4-(1-aminopropa-1,2-dienyl)-6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 4-(1-aminopropa-1,2-dienyl)-6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 176539816
• Molecular Formula: C23H26N8O
• Molecular Weight: 430.52 g/mol
• Exact Mass: 430.22
• IUPAC Name: 4-(1-aminopropa-1,2-dienyl)-6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• SMILES: C=C=C(N)c1nc(N(C)CC)cc2c1CN(c1cccc(-c3nnc(C)n3CC)n1)C2=O
• InChI: InChI=1S/C23H26N8O/c1-6-17(24)21-16-13-31(23(32)15(16)12-20(26-21)29(5)7-2)19-11-9-10-18(25-19)22-28-27-14(4)30(22)8-3/h9-12H,1,7-8,13,24H2,2-5H3
• InChIKey: OFWBWUWJEFNFKI-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 106.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.52
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-(1-aminopropa-1,2-dienyl)-6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 176539816) is 4-(1-aminopropa-1,2-dienyl)-6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

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

The canonical SMILES for 4-(1-aminopropa-1,2-dienyl)-6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is C=C=C(N)c1nc(N(C)CC)cc2c1CN(c1cccc(-c3nnc(C)n3CC)n1)C2=O.

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

The InChIKey is OFWBWUWJEFNFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-6-17(24)21-16-13-31(23(32)15(16)12-20(26-21)29(5)7-2)19-11-9-10-18(25-19)22-28-27-14(4)30(22)8-3/h9-12H,1,7-8,13,24H2,2-5H3.

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

4-(1-aminopropa-1,2-dienyl)-6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 430.52 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-aminopropa-1,2-dienyl)-6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 176539816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).