1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate

C135H174F3N23O9 — CID 160715253

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(C#N)c1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CCC1.COC(=O)c1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.COc1cnc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.COc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1
InChIInChI=1S/C29H38N4O3.C28H34N4O.C26H32F3N5O.2C26H35N5O2/c1-21-17-24(26(34)36-4)30-18-25(21)32-20-28(33(27(32)35)19-22-9-8-10-22)13-15-29(16-14-28,31(2)3)23-11-6-5-7-12-23;1-30(2)28(24-11-4-3-5-12-24)16-14-27(15-17-28)21-31(25-13-7-10-23(18-25)19-29)26(33)32(27)20-22-8-6-9-22;1-32(2)25(20-9-4-3-5-10-20)13-11-24(12-14-25)18-33(23(35)34(24)17-19-7-6-8-19)21-15-30-22(31-16-21)26(27,28)29;1-29(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(22-16-28-23(33-3)17-27-22)24(32)31(25)18-20-8-7-9-20;1-29(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(22-16-27-23(33-3)28-17-22)24(32)31(25)18-20-8-7-9-20/h5-7,11-12,17-18,22H,8-10,13-16,19-20H2,1-4H3;3-5,7,10-13,18,22H,6,8-9,14-17,20-21H2,1-2H3;3-5,9-10,15-16,19H,6-8,11-14,17-18H2,1-2H3;2*4-6,10-11,16-17,20H,7-9,12-15,18-19H2,1-3H3
InChIKeyRSJOGZYTRJZRCN-UHFFFAOYSA-N
MW2320.02 g/mol
LogP24.26
Rot. Bonds28

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate

1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate (PubChem CID 160715253) has the molecular formula C135H174F3N23O9 and a molecular weight of 2320.02 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
PubChem CID160715253
Molecular FormulaC135H174F3N23O9
Molecular Weight2320.02 g/mol
Exact Mass2318.38
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(C#N)c1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CCC1.COC(=O)c1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.COc1cnc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.COc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1
InChIInChI=1S/C29H38N4O3.C28H34N4O.C26H32F3N5O.2C26H35N5O2/c1-21-17-24(26(34)36-4)30-18-25(21)32-20-28(33(27(32)35)19-22-9-8-10-22)13-15-29(16-14-28,31(2)3)23-11-6-5-7-12-23;1-30(2)28(24-11-4-3-5-12-24)16-14-27(15-17-28)21-31(25-13-7-10-23(18-25)19-29)26(33)32(27)20-22-8-6-9-22;1-32(2)25(20-9-4-3-5-10-20)13-11-24(12-14-25)18-33(23(35)34(24)17-19-7-6-8-19)21-15-30-22(31-16-21)26(27,28)29;1-29(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(22-16-28-23(33-3)17-27-22)24(32)31(25)18-20-8-7-9-20;1-29(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(22-16-27-23(33-3)28-17-22)24(32)31(25)18-20-8-7-9-20/h5-7,11-12,17-18,22H,8-10,13-16,19-20H2,1-4H3;3-5,7,10-13,18,22H,6,8-9,14-17,20-21H2,1-2H3;3-5,9-10,15-16,19H,6-8,11-14,17-18H2,1-2H3;2*4-6,10-11,16-17,20H,7-9,12-15,18-19H2,1-3H3
InChIKeyRSJOGZYTRJZRCN-UHFFFAOYSA-N
XLogP24.26
TPSA292.73 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002320.02
LogP ≤ 524.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate (CID 160715253) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(C#N)c1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CCC1.COC(=O)c1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.COc1cnc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.COc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
The InChIKey is RSJOGZYTRJZRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3.C28H34N4O.C26H32F3N5O.2C26H35N5O2/c1-21-17-24(26(34)36-4)30-18-25(21)32-20-28(33(27(32)35)19-22-9-8-10-22)13-15-29(16-14-28,31(2)3)23-11-6-5-7-12-23;1-30(2)28(24-11-4-3-5-12-24)16-14-27(15-17-28)21-31(25-13-7-10-23(18-25)19-29)26(33)32(27)20-22-8-6-9-22;1-32(2)25(20-9-4-3-5-10-20)13-11-24(12-14-25)18-33(23(35)34(24)17-19-7-6-8-19)21-15-30-22(31-16-21)26(27,28)29;1-29(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(22-16-28-23(33-3)17-27-22)24(32)31(25)18-20-8-7-9-20;1-29(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(22-16-27-23(33-3)28-17-22)24(32)31(25)18-20-8-7-9-20/h5-7,11-12,17-18,22H,8-10,13-16,19-20H2,1-4H3;3-5,7,10-13,18,22H,6,8-9,14-17,20-21H2,1-2H3;3-5,9-10,15-16,19H,6-8,11-14,17-18H2,1-2H3;2*4-6,10-11,16-17,20H,7-9,12-15,18-19H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate has a molecular weight of 2320.02 g/mol, XLogP of 24.26, 28 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 160715253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).