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

C28H33N7 — CID 142594830

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

4-methyl-6-[5-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine (PubChem CID 142594830) has the molecular formula C28H33N7 and a molecular weight of 467.62 g/mol. Its IUPAC name is 4-methyl-6-[5-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 4-methyl-6-[5-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine
• PubChem CID: 142594830
• Molecular Formula: C28H33N7
• Molecular Weight: 467.62 g/mol
• Exact Mass: 467.28
• IUPAC Name: 4-methyl-6-[5-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine
• SMILES: Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5ccn(C)n5)CC4)cc3c2C(C)C)cn2nncc12
• InChI: InChI=1S/C28H33N7/c1-18(2)27-24-14-21(20-7-11-34(12-8-20)17-23-9-10-33(4)31-23)5-6-25(24)30-28(27)22-13-19(3)26-15-29-32-35(26)16-22/h5-6,9-10,13-16,18,20,30H,7-8,11-12,17H2,1-4H3
• InChIKey: KFXJUUNFVJZTNH-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 4-methyl-6-[5-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine?

The IUPAC name of 4-methyl-6-[5-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine (CID 142594830) is 4-methyl-6-[5-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine.

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

The canonical SMILES for 4-methyl-6-[5-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine is Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5ccn(C)n5)CC4)cc3c2C(C)C)cn2nncc12.

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

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

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

4-methyl-6-[5-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]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 4-methyl-6-[5-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine is sourced from PubChem (CID 142594830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).