4-(aminomethyl)-6-(dimethylamino)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C20H24N8O — CID 166824491

About 4-(aminomethyl)-6-(dimethylamino)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-(aminomethyl)-6-(dimethylamino)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 166824491) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(dimethylamino)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 4-(aminomethyl)-6-(dimethylamino)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 166824491
• Molecular Formula: C20H24N8O
• Molecular Weight: 392.47 g/mol
• Exact Mass: 392.21
• IUPAC Name: 4-(aminomethyl)-6-(dimethylamino)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• SMILES: CCCn1cnnc1-c1cccc(N2Cc3c(cc(N(C)C)nc3CN)C2=O)n1
• InChI: InChI=1S/C20H24N8O/c1-4-8-27-12-22-25-19(27)15-6-5-7-17(23-15)28-11-14-13(20(28)29)9-18(26(2)3)24-16(14)10-21/h5-7,9,12H,4,8,10-11,21H2,1-3H3
• InChIKey: APFGFQHZVBSTFX-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 106.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.47
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(dimethylamino)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

The IUPAC name of 4-(aminomethyl)-6-(dimethylamino)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 166824491) is 4-(aminomethyl)-6-(dimethylamino)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

What is the SMILES notation for 4-(aminomethyl)-6-(dimethylamino)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?

The canonical SMILES for 4-(aminomethyl)-6-(dimethylamino)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CCCn1cnnc1-c1cccc(N2Cc3c(cc(N(C)C)nc3CN)C2=O)n1.

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

The InChIKey is APFGFQHZVBSTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-4-8-27-12-22-25-19(27)15-6-5-7-17(23-15)28-11-14-13(20(28)29)9-18(26(2)3)24-16(14)10-21/h5-7,9,12H,4,8,10-11,21H2,1-3H3.

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

4-(aminomethyl)-6-(dimethylamino)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 392.47 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(aminomethyl)-6-(dimethylamino)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 166824491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).