7-methyl-6-[5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

C28H33N7 — CID 171406035

About 7-methyl-6-[5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

7-methyl-6-[5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 171406035) has the molecular formula C28H33N7 and a molecular weight of 467.62 g/mol. Its IUPAC name is 7-methyl-6-[5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 7-methyl-6-[5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 171406035
• Molecular Formula: C28H33N7
• Molecular Weight: 467.62 g/mol
• Exact Mass: 467.28
• IUPAC Name: 7-methyl-6-[5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: Cc1cc2ncnn2cc1-c1[nH]c2ccc(C3CCN(Cc4nccn4C)CC3)cc2c1C(C)C
• InChI: InChI=1S/C28H33N7/c1-18(2)27-22-14-21(20-7-10-34(11-8-20)16-26-29-9-12-33(26)4)5-6-24(22)32-28(27)23-15-35-25(13-19(23)3)30-17-31-35/h5-6,9,12-15,17-18,20,32H,7-8,10-11,16H2,1-4H3
• InChIKey: NXQAVEHSIDLUOX-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 67.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.62
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 7-methyl-6-[5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 171406035) is 7-methyl-6-[5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 7-methyl-6-[5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 7-methyl-6-[5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc2ncnn2cc1-c1[nH]c2ccc(C3CCN(Cc4nccn4C)CC3)cc2c1C(C)C.

What is the InChIKey of 7-methyl-6-[5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is NXQAVEHSIDLUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7/c1-18(2)27-22-14-21(20-7-10-34(11-8-20)16-26-29-9-12-33(26)4)5-6-24(22)32-28(27)23-15-35-25(13-19(23)3)30-17-31-35/h5-6,9,12-15,17-18,20,32H,7-8,10-11,16H2,1-4H3.

What are the key properties of 7-methyl-6-[5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

7-methyl-6-[5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 467.62 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-6-[5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 171406035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).