1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C23H25N3O3 — CID 131695270

About 1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131695270) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: 1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 131695270
• Molecular Formula: C23H25N3O3
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.19
• IUPAC Name: 1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• SMILES: Cc1ccncc1COC1CCOC2(C1)CN(C(=O)c1cc3ccccc3[nH]1)C2
• InChI: InChI=1S/C23H25N3O3/c1-16-6-8-24-12-18(16)13-28-19-7-9-29-23(11-19)14-26(15-23)22(27)21-10-17-4-2-3-5-20(17)25-21/h2-6,8,10,12,19,25H,7,9,11,13-15H2,1H3
• InChIKey: MYESDUVXWDVFDG-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 67.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The IUPAC name of 1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 131695270) is 1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

What is the SMILES notation for 1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The canonical SMILES for 1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1ccncc1COC1CCOC2(C1)CN(C(=O)c1cc3ccccc3[nH]1)C2.

What is the InChIKey of 1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The InChIKey is MYESDUVXWDVFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-6-8-24-12-18(16)13-28-19-7-9-29-23(11-19)14-26(15-23)22(27)21-10-17-4-2-3-5-20(17)25-21/h2-6,8,10,12,19,25H,7,9,11,13-15H2,1H3.

What are the key properties of 1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 391.47 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131695270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).