1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-(1-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone

C29H36N8O2 — CID 138725578

About 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-(1-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone

1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-(1-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone (PubChem CID 138725578) has the molecular formula C29H36N8O2 and a molecular weight of 528.66 g/mol. Its IUPAC name is 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-(1-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone.

Molecular Properties

• Compound Name: 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-(1-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone
• PubChem CID: 138725578
• Molecular Formula: C29H36N8O2
• Molecular Weight: 528.66 g/mol
• Exact Mass: 528.30
• IUPAC Name: 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-(1-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone
• SMILES: Cc1c(-c2[nH]c3ccc(N4CCN(C(=O)CN5CC6(CCO6)C5)CC4)nc3c2C(C)C)cn2ncnc2c1C
• InChI: InChI=1S/C29H36N8O2/c1-18(2)25-26(21-13-37-28(30-17-31-37)20(4)19(21)3)32-22-5-6-23(33-27(22)25)35-8-10-36(11-9-35)24(38)14-34-15-29(16-34)7-12-39-29/h5-6,13,17-18,32H,7-12,14-16H2,1-4H3
• InChIKey: FSYAAUOXEHDMKS-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 94.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.66
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-(1-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone?

The IUPAC name of 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-(1-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone (CID 138725578) is 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-(1-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone.

What is the SMILES notation for 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-(1-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone?

The canonical SMILES for 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-(1-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone is Cc1c(-c2[nH]c3ccc(N4CCN(C(=O)CN5CC6(CCO6)C5)CC4)nc3c2C(C)C)cn2ncnc2c1C.

What is the InChIKey of 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-(1-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone?

The InChIKey is FSYAAUOXEHDMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8O2/c1-18(2)25-26(21-13-37-28(30-17-31-37)20(4)19(21)3)32-22-5-6-23(33-27(22)25)35-8-10-36(11-9-35)24(38)14-34-15-29(16-34)7-12-39-29/h5-6,13,17-18,32H,7-12,14-16H2,1-4H3.

What are the key properties of 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-(1-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone?

1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-(1-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone has a molecular weight of 528.66 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-(1-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone is sourced from PubChem (CID 138725578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).