7-[6-(azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile

C69H79F2N15O3 — CID 161336654

About 7-[6-(azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile

7-[6-(azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile (PubChem CID 161336654) has the molecular formula C69H79F2N15O3 and a molecular weight of 1204.49 g/mol. Its IUPAC name is 7-[6-(azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 7-[6-(azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile
• PubChem CID: 161336654
• Molecular Formula: C69H79F2N15O3
• Molecular Weight: 1204.49 g/mol
• Exact Mass: 1203.65
• IUPAC Name: 7-[6-(azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile
• SMILES: Cc1cc(C#N)ncc1N1CC2(CC(c3cccc(F)c3)(N(C)C)C2)N(CC2CC2)C1=O.Cc1cc(C#N)ncc1N1CC2(CC(c3cccc(F)c3)(N(C)C)C2)NC1=O.Cc1cc(N2CCC2)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O
• InChI: InChI=1S/C25H28FN5O.C23H29N5O.C21H22FN5O/c1-17-9-21(11-27)28-12-22(17)30-16-24(31(23(30)32)13-18-7-8-18)14-25(15-24,29(2)3)19-5-4-6-20(26)10-19;1-17-12-20(27-10-7-11-27)24-13-19(17)28-16-22(25-21(28)29)14-23(15-22,26(2)3)18-8-5-4-6-9-18;1-14-7-17(9-23)24-10-18(14)27-13-20(25-19(27)28)11-21(12-20,26(2)3)15-5-4-6-16(22)8-15/h4-6,9-10,12,18H,7-8,13-16H2,1-3H3;4-6,8-9,12-13H,7,10-11,14-16H2,1-3H3,(H,25,29);4-8,10H,11-13H2,1-3H3,(H,25,28)
• InChIKey: VMCSLKOWOHRJPL-UHFFFAOYSA-N
• XLogP: 10.08
• TPSA: 187.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1204.49
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 7-[6-(azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile?

The IUPAC name of 7-[6-(azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile (CID 161336654) is 7-[6-(azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile.

What is the SMILES notation for 7-[6-(azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile?

The canonical SMILES for 7-[6-(azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile is Cc1cc(C#N)ncc1N1CC2(CC(c3cccc(F)c3)(N(C)C)C2)N(CC2CC2)C1=O.Cc1cc(C#N)ncc1N1CC2(CC(c3cccc(F)c3)(N(C)C)C2)NC1=O.Cc1cc(N2CCC2)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O.

What is the InChIKey of 7-[6-(azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile?

The InChIKey is VMCSLKOWOHRJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O.C23H29N5O.C21H22FN5O/c1-17-9-21(11-27)28-12-22(17)30-16-24(31(23(30)32)13-18-7-8-18)14-25(15-24,29(2)3)19-5-4-6-20(26)10-19;1-17-12-20(27-10-7-11-27)24-13-19(17)28-16-22(25-21(28)29)14-23(15-22,26(2)3)18-8-5-4-6-9-18;1-14-7-17(9-23)24-10-18(14)27-13-20(25-19(27)28)11-21(12-20,26(2)3)15-5-4-6-16(22)8-15/h4-6,9-10,12,18H,7-8,13-16H2,1-3H3;4-6,8-9,12-13H,7,10-11,14-16H2,1-3H3,(H,25,29);4-8,10H,11-13H2,1-3H3,(H,25,28).

What are the key properties of 7-[6-(azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile?

7-[6-(azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile has a molecular weight of 1204.49 g/mol, XLogP of 10.08, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-(azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 161336654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).