6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one

C24H30N6O — CID 155272697

About 6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one

6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 155272697) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

• Compound Name: 6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one
• PubChem CID: 155272697
• Molecular Formula: C24H30N6O
• Molecular Weight: 418.55 g/mol
• Exact Mass: 418.25
• IUPAC Name: 6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one
• SMILES: Cc1c(-c2cc3[nH]c(=O)n(C4CCCN(C)C4)c3cc2C(C)C)cn2ncnc2c1C
• InChI: InChI=1S/C24H30N6O/c1-14(2)18-10-22-21(27-24(31)30(22)17-7-6-8-28(5)11-17)9-19(18)20-12-29-23(25-13-26-29)16(4)15(20)3/h9-10,12-14,17H,6-8,11H2,1-5H3,(H,27,31)
• InChIKey: VTJVPOZHWSPSTM-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 71.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.55
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one?

The IUPAC name of 6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one (CID 155272697) is 6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one.

What is the SMILES notation for 6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one?

The canonical SMILES for 6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one is Cc1c(-c2cc3[nH]c(=O)n(C4CCCN(C)C4)c3cc2C(C)C)cn2ncnc2c1C.

What is the InChIKey of 6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one?

The InChIKey is VTJVPOZHWSPSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-14(2)18-10-22-21(27-24(31)30(22)17-7-6-8-28(5)11-17)9-19(18)20-12-29-23(25-13-26-29)16(4)15(20)3/h9-10,12-14,17H,6-8,11H2,1-5H3,(H,27,31).

What are the key properties of 6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one?

6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 418.55 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 155272697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).