N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide

C119H148FN29O13 — CID 157138223

IUPACN-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C23CCC3)c1.CNC(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1.Cc1ccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C23CCC3)cc1.O=C(N[C@H](CO)c1ccccc1)N1Cc2nc(NC3CCOCC3)ncc2C12CCC2.O=C(Nc1cnn(Cc2ccccc2F)c1)N1Cc2nc(NC3CCOCC3)ncc2C12CCC2
InChIInChI=1S/C25H28FN7O2.C25H32N6O3.C23H30N6O3.C23H29N5O3.C23H29N5O2/c26-21-5-2-1-4-17(21)14-32-15-19(12-28-32)30-24(34)33-16-22-20(25(33)8-3-9-25)13-27-23(31-22)29-18-6-10-35-11-7-18;1-30(2)22(32)18-6-3-5-17(13-18)14-27-24(33)31-16-21-20(25(31)9-4-10-25)15-26-23(29-21)28-19-7-11-34-12-8-19;1-23(2)18-13-25-21(27-17-7-9-32-10-8-17)28-19(18)14-29(23)22(31)26-12-15-5-4-6-16(11-15)20(30)24-3;29-15-20(16-5-2-1-3-6-16)27-22(30)28-14-19-18(23(28)9-4-10-23)13-24-21(26-19)25-17-7-11-31-12-8-17;1-16-3-5-17(6-4-16)13-25-22(29)28-15-20-19(23(28)9-2-10-23)14-24-21(27-20)26-18-7-11-30-12-8-18/h1-2,4-5,12-13,15,18H,3,6-11,14,16H2,(H,30,34)(H,27,29,31);3,5-6,13,15,19H,4,7-12,14,16H2,1-2H3,(H,27,33)(H,26,28,29);4-6,11,13,17H,7-10,12,14H2,1-3H3,(H,24,30)(H,26,31)(H,25,27,28);1-3,5-6,13,17,20,29H,4,7-12,14-15H2,(H,27,30)(H,24,25,26);3-6,14,18H,2,7-13,15H2,1H3,(H,25,29)(H,24,26,27)/t;;;20-;/m...1./s1
InChIKeyAJWMHNPOVXVAGU-NEQOQZDDSA-N
MW2211.68 g/mol
LogP15.33
Rot. Bonds24

About N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide

N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide (PubChem CID 157138223) has the molecular formula C119H148FN29O13 and a molecular weight of 2211.68 g/mol. Its IUPAC name is N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide.

Molecular Properties

Compound NameN-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide
PubChem CID157138223
Molecular FormulaC119H148FN29O13
Molecular Weight2211.68 g/mol
Exact Mass2210.18
IUPAC NameN-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C23CCC3)c1.CNC(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1.Cc1ccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C23CCC3)cc1.O=C(N[C@H](CO)c1ccccc1)N1Cc2nc(NC3CCOCC3)ncc2C12CCC2.O=C(Nc1cnn(Cc2ccccc2F)c1)N1Cc2nc(NC3CCOCC3)ncc2C12CCC2
InChIInChI=1S/C25H28FN7O2.C25H32N6O3.C23H30N6O3.C23H29N5O3.C23H29N5O2/c26-21-5-2-1-4-17(21)14-32-15-19(12-28-32)30-24(34)33-16-22-20(25(33)8-3-9-25)13-27-23(31-22)29-18-6-10-35-11-7-18;1-30(2)22(32)18-6-3-5-17(13-18)14-27-24(33)31-16-21-20(25(31)9-4-10-25)15-26-23(29-21)28-19-7-11-34-12-8-19;1-23(2)18-13-25-21(27-17-7-9-32-10-8-17)28-19(18)14-29(23)22(31)26-12-15-5-4-6-16(11-15)20(30)24-3;29-15-20(16-5-2-1-3-6-16)27-22(30)28-14-19-18(23(28)9-4-10-23)13-24-21(26-19)25-17-7-11-31-12-8-17;1-16-3-5-17(6-4-16)13-25-22(29)28-15-20-19(23(28)9-2-10-23)14-24-21(27-20)26-18-7-11-30-12-8-18/h1-2,4-5,12-13,15,18H,3,6-11,14,16H2,(H,30,34)(H,27,29,31);3,5-6,13,15,19H,4,7-12,14,16H2,1-2H3,(H,27,33)(H,26,28,29);4-6,11,13,17H,7-10,12,14H2,1-3H3,(H,24,30)(H,26,31)(H,25,27,28);1-3,5-6,13,17,20,29H,4,7-12,14-15H2,(H,27,30)(H,24,25,26);3-6,14,18H,2,7-13,15H2,1H3,(H,25,29)(H,24,26,27)/t;;;20-;/m...1./s1
InChIKeyAJWMHNPOVXVAGU-NEQOQZDDSA-N
XLogP15.33
TPSA484.36 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002211.68
LogP ≤ 515.33
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide with MolForge

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Related Compounds

(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;5-[4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one;methane
CID 157365872
5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyridine-3-carboxamide;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[(5-methylpyrazin-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 157437695
2-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[2-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 158092886
(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(oxolan-3-ylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one
CID 158575876
N-cyclohexyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(3,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 158754001
[4-[3-[2-[2-(3-Methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
CID 158759955
N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide
CID 158765094
N-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide
CID 158867402
(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one;methane
CID 159603222
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea
CID 159695567
3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide
CID 160388226
CID 160658871
CID 160658871

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide?
The IUPAC name of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide (CID 157138223) is N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide.
What is the SMILES notation for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide?
The canonical SMILES for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide is CN(C)C(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C23CCC3)c1.CNC(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1.Cc1ccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C23CCC3)cc1.O=C(N[C@H](CO)c1ccccc1)N1Cc2nc(NC3CCOCC3)ncc2C12CCC2.O=C(Nc1cnn(Cc2ccccc2F)c1)N1Cc2nc(NC3CCOCC3)ncc2C12CCC2.
What is the InChIKey of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide?
The InChIKey is AJWMHNPOVXVAGU-NEQOQZDDSA-N. The full InChI is InChI=1S/C25H28FN7O2.C25H32N6O3.C23H30N6O3.C23H29N5O3.C23H29N5O2/c26-21-5-2-1-4-17(21)14-32-15-19(12-28-32)30-24(34)33-16-22-20(25(33)8-3-9-25)13-27-23(31-22)29-18-6-10-35-11-7-18;1-30(2)22(32)18-6-3-5-17(13-18)14-27-24(33)31-16-21-20(25(31)9-4-10-25)15-26-23(29-21)28-19-7-11-34-12-8-19;1-23(2)18-13-25-21(27-17-7-9-32-10-8-17)28-19(18)14-29(23)22(31)26-12-15-5-4-6-16(11-15)20(30)24-3;29-15-20(16-5-2-1-3-6-16)27-22(30)28-14-19-18(23(28)9-4-10-23)13-24-21(26-19)25-17-7-11-31-12-8-17;1-16-3-5-17(6-4-16)13-25-22(29)28-15-20-19(23(28)9-2-10-23)14-24-21(27-20)26-18-7-11-30-12-8-18/h1-2,4-5,12-13,15,18H,3,6-11,14,16H2,(H,30,34)(H,27,29,31);3,5-6,13,15,19H,4,7-12,14,16H2,1-2H3,(H,27,33)(H,26,28,29);4-6,11,13,17H,7-10,12,14H2,1-3H3,(H,24,30)(H,26,31)(H,25,27,28);1-3,5-6,13,17,20,29H,4,7-12,14-15H2,(H,27,30)(H,24,25,26);3-6,14,18H,2,7-13,15H2,1H3,(H,25,29)(H,24,26,27)/t;;;20-;/m...1./s1.
What are the key properties of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide?
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide has a molecular weight of 2211.68 g/mol, XLogP of 15.33, 24 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide is sourced from PubChem (CID 157138223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).