1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one

C162H154Cl3F4N37O17 — CID 162053013

IUPAC1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCOc1cc(=Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1O.COc1cnc(C)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cc1[nH]c2cc(Cn3ccc(-c4ccnc(NC5CCOCC5)n4)cc3=O)ccc2c1C.Cc1[nH]ncc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cc1cc2ccc(Cn3ccc(-c4ccnc(NC5CCOCC5)n4)cc3=O)cc2[nH]1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2cccc(F)c2[nH]1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C25H27N5O2.C24H21ClFN5O3.C24H25N5O2.C23H19ClFN5O4.C23H22FN5O2.C22H22N6O2.C21H18ClFN6O2/c1-16-17(2)27-23-13-18(3-4-21(16)23)15-30-10-6-19(14-24(30)31)22-5-9-26-25(29-22)28-20-7-11-32-12-8-20;1-14-9-20(22(34-2)12-28-14)30-24-27-7-5-19(29-24)15-6-8-31(23(33)11-15)21(13-32)16-3-4-17(25)18(26)10-16;1-16-12-18-3-2-17(13-22(18)26-16)15-29-9-5-19(14-23(29)30)21-4-8-25-24(28-21)27-20-6-10-31-11-7-20;1-34-22-12-16(6-9-30(22)33)27-23-26-7-4-19(28-23)14-5-8-29(21(32)11-14)20(13-31)15-2-3-17(24)18(25)10-15;24-19-3-1-2-16-12-18(26-22(16)19)14-29-9-5-15(13-21(29)30)20-4-8-25-23(28-20)27-17-6-10-31-11-7-17;29-21-13-15(17-5-9-23-22(27-17)24-16-7-11-30-12-8-16)6-10-28(21)14-20-25-18-3-1-2-4-19(18)26-20;1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-15(22)16(23)8-14/h3-6,9-10,13-14,20,27H,7-8,11-12,15H2,1-2H3,(H,26,28,29);3-12,21,32H,13H2,1-2H3,(H,27,28,29,30);2-5,8-9,12-14,20,26H,6-7,10-11,15H2,1H3,(H,25,27,28);2-12,20,31,33H,13H2,1H3;1-5,8-9,12-13,17,26H,6-7,10-11,14H2,(H,25,27,28);1-6,9-10,13,16H,7-8,11-12,14H2,(H,25,26)(H,23,24,27);2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t;21-;;20-;;;19-/m.1.1..1/s1
InChIKeyOZTJKRRZAKYMQL-ZXZSDWFISA-N
MW3073.61 g/mol
LogP24.71
Rot. Bonds39

About 1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one

1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one (PubChem CID 162053013) has the molecular formula C162H154Cl3F4N37O17 and a molecular weight of 3073.61 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
PubChem CID162053013
Molecular FormulaC162H154Cl3F4N37O17
Molecular Weight3073.61 g/mol
Exact Mass3070.13
IUPAC Name1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCOc1cc(=Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1O.COc1cnc(C)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cc1[nH]c2cc(Cn3ccc(-c4ccnc(NC5CCOCC5)n4)cc3=O)ccc2c1C.Cc1[nH]ncc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cc1cc2ccc(Cn3ccc(-c4ccnc(NC5CCOCC5)n4)cc3=O)cc2[nH]1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2cccc(F)c2[nH]1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C25H27N5O2.C24H21ClFN5O3.C24H25N5O2.C23H19ClFN5O4.C23H22FN5O2.C22H22N6O2.C21H18ClFN6O2/c1-16-17(2)27-23-13-18(3-4-21(16)23)15-30-10-6-19(14-24(30)31)22-5-9-26-25(29-22)28-20-7-11-32-12-8-20;1-14-9-20(22(34-2)12-28-14)30-24-27-7-5-19(29-24)15-6-8-31(23(33)11-15)21(13-32)16-3-4-17(25)18(26)10-16;1-16-12-18-3-2-17(13-22(18)26-16)15-29-9-5-19(14-23(29)30)21-4-8-25-24(28-21)27-20-6-10-31-11-7-20;1-34-22-12-16(6-9-30(22)33)27-23-26-7-4-19(28-23)14-5-8-29(21(32)11-14)20(13-31)15-2-3-17(24)18(25)10-15;24-19-3-1-2-16-12-18(26-22(16)19)14-29-9-5-15(13-21(29)30)20-4-8-25-23(28-20)27-17-6-10-31-11-7-17;29-21-13-15(17-5-9-23-22(27-17)24-16-7-11-30-12-8-16)6-10-28(21)14-20-25-18-3-1-2-4-19(18)26-20;1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-15(22)16(23)8-14/h3-6,9-10,13-14,20,27H,7-8,11-12,15H2,1-2H3,(H,26,28,29);3-12,21,32H,13H2,1-2H3,(H,27,28,29,30);2-5,8-9,12-14,20,26H,6-7,10-11,15H2,1H3,(H,25,27,28);2-12,20,31,33H,13H2,1H3;1-5,8-9,12-13,17,26H,6-7,10-11,14H2,(H,25,27,28);1-6,9-10,13,16H,7-8,11-12,14H2,(H,25,26)(H,23,24,27);2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t;21-;;20-;;;19-/m.1.1..1/s1
InChIKeyOZTJKRRZAKYMQL-ZXZSDWFISA-N
XLogP24.71
TPSA677.85 Ų
H-Bond Donors15
H-Bond Acceptors49
Rotatable Bonds39
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003073.61
LogP ≤ 524.71
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 158548426
1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-fluoro-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 78160678
1-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[2-[(4,4,4-trifluoro-1-hydroxybutan-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropylpyrimidin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(3-chlorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(4-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(4-methoxyphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 162031824
1-[1-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 78160984
1-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 71727469
1-[1-(2,3-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 78160677
4-[2-[[(1S,3S)-3-[6-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]-2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]oxycyclopentyl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-chlorophenyl)propyl]pyridin-2-one
CID 134491084
1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 130233806
1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 86696683
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 71727814
1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one
CID 130233798
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-yl]pyridin-2-one
CID 158412476

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one (CID 162053013) is 1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one is COc1cc(=Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1O.COc1cnc(C)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cc1[nH]c2cc(Cn3ccc(-c4ccnc(NC5CCOCC5)n4)cc3=O)ccc2c1C.Cc1[nH]ncc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cc1cc2ccc(Cn3ccc(-c4ccnc(NC5CCOCC5)n4)cc3=O)cc2[nH]1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2cccc(F)c2[nH]1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The InChIKey is OZTJKRRZAKYMQL-ZXZSDWFISA-N. The full InChI is InChI=1S/C25H27N5O2.C24H21ClFN5O3.C24H25N5O2.C23H19ClFN5O4.C23H22FN5O2.C22H22N6O2.C21H18ClFN6O2/c1-16-17(2)27-23-13-18(3-4-21(16)23)15-30-10-6-19(14-24(30)31)22-5-9-26-25(29-22)28-20-7-11-32-12-8-20;1-14-9-20(22(34-2)12-28-14)30-24-27-7-5-19(29-24)15-6-8-31(23(33)11-15)21(13-32)16-3-4-17(25)18(26)10-16;1-16-12-18-3-2-17(13-22(18)26-16)15-29-9-5-19(14-23(29)30)21-4-8-25-24(28-21)27-20-6-10-31-11-7-20;1-34-22-12-16(6-9-30(22)33)27-23-26-7-4-19(28-23)14-5-8-29(21(32)11-14)20(13-31)15-2-3-17(24)18(25)10-15;24-19-3-1-2-16-12-18(26-22(16)19)14-29-9-5-15(13-21(29)30)20-4-8-25-23(28-20)27-17-6-10-31-11-7-17;29-21-13-15(17-5-9-23-22(27-17)24-16-7-11-30-12-8-16)6-10-28(21)14-20-25-18-3-1-2-4-19(18)26-20;1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-15(22)16(23)8-14/h3-6,9-10,13-14,20,27H,7-8,11-12,15H2,1-2H3,(H,26,28,29);3-12,21,32H,13H2,1-2H3,(H,27,28,29,30);2-5,8-9,12-14,20,26H,6-7,10-11,15H2,1H3,(H,25,27,28);2-12,20,31,33H,13H2,1H3;1-5,8-9,12-13,17,26H,6-7,10-11,14H2,(H,25,27,28);1-6,9-10,13,16H,7-8,11-12,14H2,(H,25,26)(H,23,24,27);2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t;21-;;20-;;;19-/m.1.1..1/s1.
What are the key properties of 1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one has a molecular weight of 3073.61 g/mol, XLogP of 24.71, 39 rotatable bonds, 15 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-hydroxy-2-methoxy-4-pyridinylidene)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(2,3-dimethyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(7-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(2-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 162053013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).