[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone

C26H32N4O2 — CID 69283299

About [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone

[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 69283299) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
• PubChem CID: 69283299
• Molecular Formula: C26H32N4O2
• Molecular Weight: 432.57 g/mol
• Exact Mass: 432.25
• IUPAC Name: [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
• SMILES: CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCC(c5ccccn5)C4)cc3c2)CC1
• InChI: InChI=1S/C26H32N4O2/c1-18(2)29-13-9-21(10-14-29)32-22-6-7-24-20(15-22)16-25(28-24)26(31)30-12-8-19(17-30)23-5-3-4-11-27-23/h3-7,11,15-16,18-19,21,28H,8-10,12-14,17H2,1-2H3
• InChIKey: CDRXPNKSFDBGPI-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 61.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.57
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?

The IUPAC name of [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 69283299) is [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone.

What is the SMILES notation for [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?

The canonical SMILES for [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone is CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCC(c5ccccn5)C4)cc3c2)CC1.

What is the InChIKey of [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?

The InChIKey is CDRXPNKSFDBGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-18(2)29-13-9-21(10-14-29)32-22-6-7-24-20(15-22)16-25(28-24)26(31)30-12-8-19(17-30)23-5-3-4-11-27-23/h3-7,11,15-16,18-19,21,28H,8-10,12-14,17H2,1-2H3.

What are the key properties of [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?

[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 432.57 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 69283299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).