2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

C135H170N24O12S2 — CID 159649007

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1C#N)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(C(N)=O)c1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C(N)=O)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(S(C)(=O)=O)nc1C#N)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1)C(=O)N2CCOC
InChIInChI=1S/C29H36N4O3S.2C28H36N4O2.C27H34N6O3S.C23H28N6O2/c1-31(2)29(24-10-5-4-6-11-24)16-14-28(15-17-29)21-32(27(34)33(28)20-22-8-7-9-22)26-13-12-25(37(3,35)36)18-23(26)19-30;1-30(2)28(23-11-4-3-5-12-23)16-14-27(15-17-28)20-31(24-13-7-10-22(18-24)25(29)33)26(34)32(27)19-21-8-6-9-21;1-30(2)28(22-11-4-3-5-12-22)17-15-27(16-18-28)20-31(24-14-7-6-13-23(24)25(29)33)26(34)32(27)19-21-9-8-10-21;1-31(2)27(21-10-5-4-6-11-21)14-12-26(13-15-27)19-32(25(34)33(26)18-20-8-7-9-20)23-17-29-24(37(3,35)36)30-22(23)16-28;1-25-23(18-6-4-3-5-7-18)10-8-22(9-11-23)17-28(21(30)29(22)12-13-31-2)19-15-26-20(14-24)27-16-19/h4-6,10-13,18,22H,7-9,14-17,20-21H2,1-3H3;3-5,7,10-13,18,21H,6,8-9,14-17,19-20H2,1-2H3,(H2,29,33);3-7,11-14,21H,8-10,15-20H2,1-2H3,(H2,29,33);4-6,10-11,17,20H,7-9,12-15,18-19H2,1-3H3;3-7,15-16,25H,8-13,17H2,1-2H3
InChIKeyMRICUYSCSVUKMX-UHFFFAOYSA-N
MW2385.13 g/mol
LogP20.20
Rot. Bonds30

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile (PubChem CID 159649007) has the molecular formula C135H170N24O12S2 and a molecular weight of 2385.13 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
PubChem CID159649007
Molecular FormulaC135H170N24O12S2
Molecular Weight2385.13 g/mol
Exact Mass2383.29
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1C#N)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(C(N)=O)c1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C(N)=O)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(S(C)(=O)=O)nc1C#N)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1)C(=O)N2CCOC
InChIInChI=1S/C29H36N4O3S.2C28H36N4O2.C27H34N6O3S.C23H28N6O2/c1-31(2)29(24-10-5-4-6-11-24)16-14-28(15-17-29)21-32(27(34)33(28)20-22-8-7-9-22)26-13-12-25(37(3,35)36)18-23(26)19-30;1-30(2)28(23-11-4-3-5-12-23)16-14-27(15-17-28)20-31(24-13-7-10-22(18-24)25(29)33)26(34)32(27)19-21-8-6-9-21;1-30(2)28(22-11-4-3-5-12-22)17-15-27(16-18-28)20-31(24-14-7-6-13-23(24)25(29)33)26(34)32(27)19-21-9-8-10-21;1-31(2)27(21-10-5-4-6-11-21)14-12-26(13-15-27)19-32(25(34)33(26)18-20-8-7-9-20)23-17-29-24(37(3,35)36)30-22(23)16-28;1-25-23(18-6-4-3-5-7-18)10-8-22(9-11-23)17-28(21(30)29(22)12-13-31-2)19-15-26-20(14-24)27-16-19/h4-6,10-13,18,22H,7-9,14-17,20-21H2,1-3H3;3-5,7,10-13,18,21H,6,8-9,14-17,19-20H2,1-2H3,(H2,29,33);3-7,11-14,21H,8-10,15-20H2,1-2H3,(H2,29,33);4-6,10-11,17,20H,7-9,12-15,18-19H2,1-3H3;3-7,15-16,25H,8-13,17H2,1-2H3
InChIKeyMRICUYSCSVUKMX-UHFFFAOYSA-N
XLogP20.20
TPSA429.36 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002385.13
LogP ≤ 520.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile with MolForge

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Related Compounds

3-(2-Cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)
CID 158912814
CID 161964261
CID 161964261
2-[1-(Cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 159126198
4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile
CID 160077500
1-(Cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;8-(dimethylamino)-1-[2-(1-methoxycyclobutyl)ethyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[2-(1-methoxycyclobutyl)ethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid;5-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 160817891
1-(Cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;8-(dimethylamino)-1-[2-(1-methoxycyclobutyl)ethyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[2-(1-methoxycyclobutyl)ethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 161241109
4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 161968348
CID 161969680
CID 161969680

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile (CID 159649007) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1C#N)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(C(N)=O)c1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C(N)=O)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(S(C)(=O)=O)nc1C#N)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1)C(=O)N2CCOC.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?
The InChIKey is MRICUYSCSVUKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3S.2C28H36N4O2.C27H34N6O3S.C23H28N6O2/c1-31(2)29(24-10-5-4-6-11-24)16-14-28(15-17-29)21-32(27(34)33(28)20-22-8-7-9-22)26-13-12-25(37(3,35)36)18-23(26)19-30;1-30(2)28(23-11-4-3-5-12-23)16-14-27(15-17-28)20-31(24-13-7-10-22(18-24)25(29)33)26(34)32(27)19-21-8-6-9-21;1-30(2)28(22-11-4-3-5-12-22)17-15-27(16-18-28)20-31(24-14-7-6-13-23(24)25(29)33)26(34)32(27)19-21-9-8-10-21;1-31(2)27(21-10-5-4-6-11-21)14-12-26(13-15-27)19-32(25(34)33(26)18-20-8-7-9-20)23-17-29-24(37(3,35)36)30-22(23)16-28;1-25-23(18-6-4-3-5-7-18)10-8-22(9-11-23)17-28(21(30)29(22)12-13-31-2)19-15-26-20(14-24)27-16-19/h4-6,10-13,18,22H,7-9,14-17,20-21H2,1-3H3;3-5,7,10-13,18,21H,6,8-9,14-17,19-20H2,1-2H3,(H2,29,33);3-7,11-14,21H,8-10,15-20H2,1-2H3,(H2,29,33);4-6,10-11,17,20H,7-9,12-15,18-19H2,1-3H3;3-7,15-16,25H,8-13,17H2,1-2H3.
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile has a molecular weight of 2385.13 g/mol, XLogP of 20.20, 30 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylsulfonylpyrimidine-4-carbonitrile;5-[1-(2-methoxyethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 159649007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).