4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide

C31H30F4N4O2 — CID 66700738

About 4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide

4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide (PubChem CID 66700738) has the molecular formula C31H30F4N4O2 and a molecular weight of 566.60 g/mol. Its IUPAC name is 4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide
• PubChem CID: 66700738
• Molecular Formula: C31H30F4N4O2
• Molecular Weight: 566.60 g/mol
• Exact Mass: 566.23
• IUPAC Name: 4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide
• SMILES: O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1ccc(F)cc1C(F)(F)F
• InChI: InChI=1S/C31H30F4N4O2/c32-22-4-5-24(26(18-22)31(33,34)35)28(40)37-27-6-3-20-1-2-21(17-25(20)27)29(41)39-16-11-30(19-39)9-14-38(15-10-30)23-7-12-36-13-8-23/h1-2,4-5,7-8,12-13,17-18,27H,3,6,9-11,14-16,19H2,(H,37,40)
• InChIKey: NLRKZFXIWXWEFL-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.60
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide?

The IUPAC name of 4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide (CID 66700738) is 4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide.

What is the SMILES notation for 4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide?

The canonical SMILES for 4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide is O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1ccc(F)cc1C(F)(F)F.

What is the InChIKey of 4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide?

The InChIKey is NLRKZFXIWXWEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F4N4O2/c32-22-4-5-24(26(18-22)31(33,34)35)28(40)37-27-6-3-20-1-2-21(17-25(20)27)29(41)39-16-11-30(19-39)9-14-38(15-10-30)23-7-12-36-13-8-23/h1-2,4-5,7-8,12-13,17-18,27H,3,6,9-11,14-16,19H2,(H,37,40).

What are the key properties of 4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide?

4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 566.60 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 66700738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).