(1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C24H27N3O3 — CID 131692825

About (1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

(1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131692825) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: (1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 131692825
• Molecular Formula: C24H27N3O3
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.21
• IUPAC Name: (1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• SMILES: Cc1cncc(COC2CCOC3(C2)CN(C(=O)c2ccc4c(ccn4C)c2)C3)c1
• InChI: InChI=1S/C24H27N3O3/c1-17-9-18(13-25-12-17)14-29-21-6-8-30-24(11-21)15-27(16-24)23(28)20-3-4-22-19(10-20)5-7-26(22)2/h3-5,7,9-10,12-13,21H,6,8,11,14-16H2,1-2H3
• InChIKey: NWIXSVYKPAZTTC-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 56.59 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The IUPAC name of (1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 131692825) is (1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

What is the SMILES notation for (1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The canonical SMILES for (1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1cncc(COC2CCOC3(C2)CN(C(=O)c2ccc4c(ccn4C)c2)C3)c1.

What is the InChIKey of (1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The InChIKey is NWIXSVYKPAZTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-9-18(13-25-12-17)14-29-21-6-8-30-24(11-21)15-27(16-24)23(28)20-3-4-22-19(10-20)5-7-26(22)2/h3-5,7,9-10,12-13,21H,6,8,11,14-16H2,1-2H3.

What are the key properties of (1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

(1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131692825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).