4-cyclopropyl-9-[2-fluoro-4-(1H-indol-6-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C25H26FN3O4S — CID 69093855

About 4-cyclopropyl-9-[2-fluoro-4-(1H-indol-6-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-cyclopropyl-9-[2-fluoro-4-(1H-indol-6-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 69093855) has the molecular formula C25H26FN3O4S and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-cyclopropyl-9-[2-fluoro-4-(1H-indol-6-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 4-cyclopropyl-9-[2-fluoro-4-(1H-indol-6-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 69093855
• Molecular Formula: C25H26FN3O4S
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.16
• IUPAC Name: 4-cyclopropyl-9-[2-fluoro-4-(1H-indol-6-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
• SMILES: O=C1COC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cc[nH]c5c4)cc3F)CC2)CN1C1CC1
• InChI: InChI=1S/C25H26FN3O4S/c26-21-13-18(19-2-1-17-7-10-27-22(17)14-19)3-6-23(21)34(31,32)28-11-8-25(9-12-28)16-29(20-4-5-20)24(30)15-33-25/h1-3,6-7,10,13-14,20,27H,4-5,8-9,11-12,15-16H2
• InChIKey: DWJCKHYLRKGYKH-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 82.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-9-[2-fluoro-4-(1H-indol-6-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 4-cyclopropyl-9-[2-fluoro-4-(1H-indol-6-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 69093855) is 4-cyclopropyl-9-[2-fluoro-4-(1H-indol-6-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 4-cyclopropyl-9-[2-fluoro-4-(1H-indol-6-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 4-cyclopropyl-9-[2-fluoro-4-(1H-indol-6-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cc[nH]c5c4)cc3F)CC2)CN1C1CC1.

What is the InChIKey of 4-cyclopropyl-9-[2-fluoro-4-(1H-indol-6-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is DWJCKHYLRKGYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4S/c26-21-13-18(19-2-1-17-7-10-27-22(17)14-19)3-6-23(21)34(31,32)28-11-8-25(9-12-28)16-29(20-4-5-20)24(30)15-33-25/h1-3,6-7,10,13-14,20,27H,4-5,8-9,11-12,15-16H2.

What are the key properties of 4-cyclopropyl-9-[2-fluoro-4-(1H-indol-6-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

4-cyclopropyl-9-[2-fluoro-4-(1H-indol-6-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 483.57 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-9-[2-fluoro-4-(1H-indol-6-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 69093855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).