2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide

C31H32F2N4O2 — CID 66700687

About 2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide

2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 66700687) has the molecular formula C31H32F2N4O2 and a molecular weight of 530.62 g/mol. Its IUPAC name is 2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 66700687
• Molecular Formula: C31H32F2N4O2
• Molecular Weight: 530.62 g/mol
• Exact Mass: 530.25
• IUPAC Name: 2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: O=C(NC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc21)c1c(F)cccc1F
• InChI: InChI=1S/C31H32F2N4O2/c32-25-2-1-3-26(33)28(25)29(38)35-27-7-6-21-4-5-22(20-24(21)27)30(39)37-18-12-31(13-19-37)10-16-36(17-11-31)23-8-14-34-15-9-23/h1-5,8-9,14-15,20,27H,6-7,10-13,16-19H2,(H,35,38)
• InChIKey: BXRYSAWMUNSOPA-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.62
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

The IUPAC name of 2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 66700687) is 2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(NC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc21)c1c(F)cccc1F.

What is the InChIKey of 2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

The InChIKey is BXRYSAWMUNSOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N4O2/c32-25-2-1-3-26(33)28(25)29(38)35-27-7-6-21-4-5-22(20-24(21)27)30(39)37-18-12-31(13-19-37)10-16-36(17-11-31)23-8-14-34-15-9-23/h1-5,8-9,14-15,20,27H,6-7,10-13,16-19H2,(H,35,38).

What are the key properties of 2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 530.62 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 66700687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).