3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one

C115H156N40O5 — CID 157116046

IUPAC3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one
SMILESC.CN1CCN(c2ccc(Nc3nccc(N4C(=O)N(C)CC45CCCCC5)n3)nc2)CC1.CN1CCN(c2ccc(Nc3nccc(N4C(=O)N(Cc5ccccc5)CC45CCCCC5)n3)nc2)CC1.CN1CCN(c2ccc(Nc3nccc(N4C(=O)NCC45CCCCC5)n3)nc2)CC1.CN1CCN(c2ccc(Nc3nccc(N4CC(=O)NCC45CCCCC5)n3)nc2)CC1.CN1CCN(c2ccc(Nc3nccc(N4CCNC4=O)n3)nc2)CC1
InChIInChI=1S/C29H36N8O.2C23H32N8O.C22H30N8O.C17H22N8O.CH4/c1-34-16-18-35(19-17-34)24-10-11-25(31-20-24)32-27-30-15-12-26(33-27)37-28(38)36(21-23-8-4-2-5-9-23)22-29(37)13-6-3-7-14-29;1-28-12-14-30(15-13-28)18-6-7-19(25-16-18)26-21-24-11-8-20(27-21)31-22(32)29(2)17-23(31)9-4-3-5-10-23;1-29-11-13-30(14-12-29)18-5-6-19(25-15-18)27-22-24-10-7-20(28-22)31-16-21(32)26-17-23(31)8-3-2-4-9-23;1-28-11-13-29(14-12-28)17-5-6-18(24-15-17)26-20-23-10-7-19(27-20)30-21(31)25-16-22(30)8-3-2-4-9-22;1-23-8-10-24(11-9-23)13-2-3-14(20-12-13)21-16-18-5-4-15(22-16)25-7-6-19-17(25)26;/h2,4-5,8-12,15,20H,3,6-7,13-14,16-19,21-22H2,1H3,(H,30,31,32,33);6-8,11,16H,3-5,9-10,12-15,17H2,1-2H3,(H,24,25,26,27);5-7,10,15H,2-4,8-9,11-14,16-17H2,1H3,(H,26,32)(H,24,25,27,28);5-7,10,15H,2-4,8-9,11-14,16H2,1H3,(H,25,31)(H,23,24,26,27);2-5,12H,6-11H2,1H3,(H,19,26)(H,18,20,21,22);1H4
InChIKeyAHKLNWILNJXKLY-UHFFFAOYSA-N
MW2178.79 g/mol
LogP13.59
Rot. Bonds22

About 3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one

3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one (PubChem CID 157116046) has the molecular formula C115H156N40O5 and a molecular weight of 2178.79 g/mol. Its IUPAC name is 3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one
PubChem CID157116046
Molecular FormulaC115H156N40O5
Molecular Weight2178.79 g/mol
Exact Mass2177.32
IUPAC Name3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one
SMILESC.CN1CCN(c2ccc(Nc3nccc(N4C(=O)N(C)CC45CCCCC5)n3)nc2)CC1.CN1CCN(c2ccc(Nc3nccc(N4C(=O)N(Cc5ccccc5)CC45CCCCC5)n3)nc2)CC1.CN1CCN(c2ccc(Nc3nccc(N4C(=O)NCC45CCCCC5)n3)nc2)CC1.CN1CCN(c2ccc(Nc3nccc(N4CC(=O)NCC45CCCCC5)n3)nc2)CC1.CN1CCN(c2ccc(Nc3nccc(N4CCNC4=O)n3)nc2)CC1
InChIInChI=1S/C29H36N8O.2C23H32N8O.C22H30N8O.C17H22N8O.CH4/c1-34-16-18-35(19-17-34)24-10-11-25(31-20-24)32-27-30-15-12-26(33-27)37-28(38)36(21-23-8-4-2-5-9-23)22-29(37)13-6-3-7-14-29;1-28-12-14-30(15-13-28)18-6-7-19(25-16-18)26-21-24-11-8-20(27-21)31-22(32)29(2)17-23(31)9-4-3-5-10-23;1-29-11-13-30(14-12-29)18-5-6-19(25-15-18)27-22-24-10-7-20(28-22)31-16-21(32)26-17-23(31)8-3-2-4-9-23;1-28-11-13-29(14-12-28)17-5-6-18(24-15-17)26-20-23-10-7-19(27-20)30-21(31)25-16-22(30)8-3-2-4-9-22;1-23-8-10-24(11-9-23)13-2-3-14(20-12-13)21-16-18-5-4-15(22-16)25-7-6-19-17(25)26;/h2,4-5,8-12,15,20H,3,6-7,13-14,16-19,21-22H2,1H3,(H,30,31,32,33);6-8,11,16H,3-5,9-10,12-15,17H2,1-2H3,(H,24,25,26,27);5-7,10,15H,2-4,8-9,11-14,16-17H2,1H3,(H,26,32)(H,24,25,27,28);5-7,10,15H,2-4,8-9,11-14,16H2,1H3,(H,25,31)(H,23,24,26,27);2-5,12H,6-11H2,1H3,(H,19,26)(H,18,20,21,22);1H4
InChIKeyAHKLNWILNJXKLY-UHFFFAOYSA-N
XLogP13.59
TPSA430.02 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds22
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002178.79
LogP ≤ 513.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze 3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one with MolForge

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Related Compounds

4-[6-[(4,4-Dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
CID 156587341
1-[2-[[5-(4-Methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one
CID 138595618
3-Benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 138595641
2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-2-[[2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]acetyl]-pyridin-3-ylamino]-N-methyl-N-phenylacetamide
CID 87278395
2-(6-fluorobenzimidazol-1-yl)-6-[5-fluoro-1-[8-oxo-9-(1-pyridin-3-ylethyl)-7H-purin-2-yl]benzimidazol-2-yl]-9-(1-pyridin-3-ylethyl)-7H-purin-8-one
CID 143306757
(2S)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2S)-1-[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2S)-1-(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 157153587
8-Benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(piperazine-1-carbonyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 157592768
(7R)-8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrimidin-5-ylimidazol-1-yl)-7H-pteridin-6-one;(7R)-8-(3,3-difluorocyclopentyl)-2-[2-(3,4-difluorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-(3,3-difluorocyclopentyl)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one;(7R)-2-[2-(5,6-difluoro-3-pyridinyl)imidazol-1-yl]-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one
CID 157636085
2-[(2R,5R)-2-[(2-chloroimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;2-[(2R,5R)-2-[(2,4-dimethylimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-(imidazol-1-ylmethyl)-5-methylpiperazin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperazin-1-yl]ethanone
CID 157670004
(2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)acetamide
CID 158084012
(9Z,12E)-1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-(4-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]octadeca-9,12-dien-1-one;(Z)-1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(4-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]octadec-9-en-1-one;(9Z,12E)-1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]octadeca-9,12-dien-1-one;(Z)-1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]octadec-9-en-1-one
CID 158361878
1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-(4-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]pentadecan-1-one;(9Z,12E)-1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(4-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]octadeca-9,12-dien-1-one;1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(4-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]pentadecan-1-one;1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]pentadecan-1-one
CID 158435253

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one?
The IUPAC name of 3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one (CID 157116046) is 3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one is C.CN1CCN(c2ccc(Nc3nccc(N4C(=O)N(C)CC45CCCCC5)n3)nc2)CC1.CN1CCN(c2ccc(Nc3nccc(N4C(=O)N(Cc5ccccc5)CC45CCCCC5)n3)nc2)CC1.CN1CCN(c2ccc(Nc3nccc(N4C(=O)NCC45CCCCC5)n3)nc2)CC1.CN1CCN(c2ccc(Nc3nccc(N4CC(=O)NCC45CCCCC5)n3)nc2)CC1.CN1CCN(c2ccc(Nc3nccc(N4CCNC4=O)n3)nc2)CC1.
What is the InChIKey of 3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one?
The InChIKey is AHKLNWILNJXKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8O.2C23H32N8O.C22H30N8O.C17H22N8O.CH4/c1-34-16-18-35(19-17-34)24-10-11-25(31-20-24)32-27-30-15-12-26(33-27)37-28(38)36(21-23-8-4-2-5-9-23)22-29(37)13-6-3-7-14-29;1-28-12-14-30(15-13-28)18-6-7-19(25-16-18)26-21-24-11-8-20(27-21)31-22(32)29(2)17-23(31)9-4-3-5-10-23;1-29-11-13-30(14-12-29)18-5-6-19(25-15-18)27-22-24-10-7-20(28-22)31-16-21(32)26-17-23(31)8-3-2-4-9-23;1-28-11-13-29(14-12-28)17-5-6-18(24-15-17)26-20-23-10-7-19(27-20)30-21(31)25-16-22(30)8-3-2-4-9-22;1-23-8-10-24(11-9-23)13-2-3-14(20-12-13)21-16-18-5-4-15(22-16)25-7-6-19-17(25)26;/h2,4-5,8-12,15,20H,3,6-7,13-14,16-19,21-22H2,1H3,(H,30,31,32,33);6-8,11,16H,3-5,9-10,12-15,17H2,1-2H3,(H,24,25,26,27);5-7,10,15H,2-4,8-9,11-14,16-17H2,1H3,(H,26,32)(H,24,25,27,28);5-7,10,15H,2-4,8-9,11-14,16H2,1H3,(H,25,31)(H,23,24,26,27);2-5,12H,6-11H2,1H3,(H,19,26)(H,18,20,21,22);1H4.
What are the key properties of 3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one?
3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one has a molecular weight of 2178.79 g/mol, XLogP of 13.59, 22 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;methane;3-methyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,4-diazaspiro[5.5]undecan-3-one;1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 157116046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).