8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

C27H34N6O — CID 158220720

About 8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158220720) has the molecular formula C27H34N6O and a molecular weight of 458.61 g/mol. Its IUPAC name is 8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 158220720
• Molecular Formula: C27H34N6O
• Molecular Weight: 458.61 g/mol
• Exact Mass: 458.28
• IUPAC Name: 8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: Cc1c(N2CCC(CC3COC3)CC2)ncc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12
• InChI: InChI=1S/C27H34N6O/c1-16(2)23-24-18(4)27(32-7-5-19(6-8-32)10-20-13-34-14-20)28-11-22(24)31-25(23)21-9-17(3)26-29-15-30-33(26)12-21/h9,11-12,15-16,19-20,31H,5-8,10,13-14H2,1-4H3
• InChIKey: GDFCAMSATDNQSR-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 71.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.61
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 158220720) is 8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(N2CCC(CC3COC3)CC2)ncc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.

What is the InChIKey of 8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is GDFCAMSATDNQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O/c1-16(2)23-24-18(4)27(32-7-5-19(6-8-32)10-20-13-34-14-20)28-11-22(24)31-25(23)21-9-17(3)26-29-15-30-33(26)12-21/h9,11-12,15-16,19-20,31H,5-8,10,13-14H2,1-4H3.

What are the key properties of 8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 458.61 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158220720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).