1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one

C137H122Cl6F8N34O14 — CID 158203700

IUPAC1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCC(C)(O)CC(c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(NC3CCOCC3)n2)cc1=O.Cc1nnccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cn1cc(C(c2ccc(Cl)c(F)c2)n2ccc(-c3nc(N[C@@H]4CCOC[C@H]4F)ncc3F)cc2=O)cn1.Cn1cc(C(c2ccc(Cl)cc2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.O=c1cc(-c2ccnc(Nc3ccnnc3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(Nc3nnco3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C25H22ClF3N6O2.C25H24ClFN6O2.C25H28ClFN4O3.C22H18ClFN6O2.C21H16ClFN6O2.C19H14ClFN6O3/c1-34-12-16(10-31-34)24(15-2-3-17(26)18(27)8-15)35-6-4-14(9-22(35)36)23-19(28)11-30-25(33-23)32-21-5-7-37-13-20(21)29;1-32-15-18(13-29-32)24(16-2-4-19(26)5-3-16)33-9-6-17(12-22(33)34)23-21(27)14-28-25(31-23)30-20-7-10-35-11-8-20;1-25(2,33)15-22(17-3-4-19(26)20(27)13-17)31-10-6-16(14-23(31)32)21-5-9-28-24(30-21)29-18-7-11-34-12-8-18;1-13-18(5-8-26-29-13)27-22-25-7-4-19(28-22)14-6-9-30(21(32)11-14)20(12-31)15-2-3-16(23)17(24)10-15;22-16-2-1-14(9-17(16)23)19(12-30)29-8-5-13(10-20(29)31)18-4-6-24-21(28-18)27-15-3-7-25-26-11-15;20-13-2-1-12(7-14(13)21)16(9-28)27-6-4-11(8-17(27)29)15-3-5-22-18(24-15)25-19-26-23-10-30-19/h2-4,6,8-12,20-21,24H,5,7,13H2,1H3,(H,30,32,33);2-6,9,12-15,20,24H,7-8,10-11H2,1H3,(H,28,30,31);3-6,9-10,13-14,18,22,33H,7-8,11-12,15H2,1-2H3,(H,28,29,30);2-11,20,31H,12H2,1H3,(H,25,26,27,28);1-11,19,30H,12H2,(H,24,25,27,28);1-8,10,16,28H,9H2,(H,22,24,25,26)/t20-,21-,24?;;;20-;19-;16-/m1..111/s1
InChIKeyGBFXVILGSXVOSH-HBFVMRNHSA-N
MW2833.41 g/mol
LogP22.19
Rot. Bonds37

About 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one

1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one (PubChem CID 158203700) has the molecular formula C137H122Cl6F8N34O14 and a molecular weight of 2833.41 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
PubChem CID158203700
Molecular FormulaC137H122Cl6F8N34O14
Molecular Weight2833.41 g/mol
Exact Mass2828.79
IUPAC Name1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCC(C)(O)CC(c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(NC3CCOCC3)n2)cc1=O.Cc1nnccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cn1cc(C(c2ccc(Cl)c(F)c2)n2ccc(-c3nc(N[C@@H]4CCOC[C@H]4F)ncc3F)cc2=O)cn1.Cn1cc(C(c2ccc(Cl)cc2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.O=c1cc(-c2ccnc(Nc3ccnnc3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(Nc3nnco3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C25H22ClF3N6O2.C25H24ClFN6O2.C25H28ClFN4O3.C22H18ClFN6O2.C21H16ClFN6O2.C19H14ClFN6O3/c1-34-12-16(10-31-34)24(15-2-3-17(26)18(27)8-15)35-6-4-14(9-22(35)36)23-19(28)11-30-25(33-23)32-21-5-7-37-13-20(21)29;1-32-15-18(13-29-32)24(16-2-4-19(26)5-3-16)33-9-6-17(12-22(33)34)23-21(27)14-28-25(31-23)30-20-7-10-35-11-8-20;1-25(2,33)15-22(17-3-4-19(26)20(27)13-17)31-10-6-16(14-23(31)32)21-5-9-28-24(30-21)29-18-7-11-34-12-8-18;1-13-18(5-8-26-29-13)27-22-25-7-4-19(28-22)14-6-9-30(21(32)11-14)20(12-31)15-2-3-16(23)17(24)10-15;22-16-2-1-14(9-17(16)23)19(12-30)29-8-5-13(10-20(29)31)18-4-6-24-21(28-18)27-15-3-7-25-26-11-15;20-13-2-1-12(7-14(13)21)16(9-28)27-6-4-11(8-17(27)29)15-3-5-22-18(24-15)25-19-26-23-10-30-19/h2-4,6,8-12,20-21,24H,5,7,13H2,1H3,(H,30,32,33);2-6,9,12-15,20,24H,7-8,10-11H2,1H3,(H,28,30,31);3-6,9-10,13-14,18,22,33H,7-8,11-12,15H2,1-2H3,(H,28,29,30);2-11,20,31H,12H2,1H3,(H,25,26,27,28);1-11,19,30H,12H2,(H,24,25,27,28);1-8,10,16,28H,9H2,(H,22,24,25,26)/t20-,21-,24?;;;20-;19-;16-/m1..111/s1
InChIKeyGBFXVILGSXVOSH-HBFVMRNHSA-N
XLogP22.19
TPSA593.59 Ų
H-Bond Donors10
H-Bond Acceptors48
Rotatable Bonds37
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002833.41
LogP ≤ 522.19
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1048

Analyze 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one (CID 158203700) is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one is CC(C)(O)CC(c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(NC3CCOCC3)n2)cc1=O.Cc1nnccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cn1cc(C(c2ccc(Cl)c(F)c2)n2ccc(-c3nc(N[C@@H]4CCOC[C@H]4F)ncc3F)cc2=O)cn1.Cn1cc(C(c2ccc(Cl)cc2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.O=c1cc(-c2ccnc(Nc3ccnnc3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(Nc3nnco3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The InChIKey is GBFXVILGSXVOSH-HBFVMRNHSA-N. The full InChI is InChI=1S/C25H22ClF3N6O2.C25H24ClFN6O2.C25H28ClFN4O3.C22H18ClFN6O2.C21H16ClFN6O2.C19H14ClFN6O3/c1-34-12-16(10-31-34)24(15-2-3-17(26)18(27)8-15)35-6-4-14(9-22(35)36)23-19(28)11-30-25(33-23)32-21-5-7-37-13-20(21)29;1-32-15-18(13-29-32)24(16-2-4-19(26)5-3-16)33-9-6-17(12-22(33)34)23-21(27)14-28-25(31-23)30-20-7-10-35-11-8-20;1-25(2,33)15-22(17-3-4-19(26)20(27)13-17)31-10-6-16(14-23(31)32)21-5-9-28-24(30-21)29-18-7-11-34-12-8-18;1-13-18(5-8-26-29-13)27-22-25-7-4-19(28-22)14-6-9-30(21(32)11-14)20(12-31)15-2-3-16(23)17(24)10-15;22-16-2-1-14(9-17(16)23)19(12-30)29-8-5-13(10-20(29)31)18-4-6-24-21(28-18)27-15-3-7-25-26-11-15;20-13-2-1-12(7-14(13)21)16(9-28)27-6-4-11(8-17(27)29)15-3-5-22-18(24-15)25-19-26-23-10-30-19/h2-4,6,8-12,20-21,24H,5,7,13H2,1H3,(H,30,32,33);2-6,9,12-15,20,24H,7-8,10-11H2,1H3,(H,28,30,31);3-6,9-10,13-14,18,22,33H,7-8,11-12,15H2,1-2H3,(H,28,29,30);2-11,20,31H,12H2,1H3,(H,25,26,27,28);1-11,19,30H,12H2,(H,24,25,27,28);1-8,10,16,28H,9H2,(H,22,24,25,26)/t20-,21-,24?;;;20-;19-;16-/m1..111/s1.
What are the key properties of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one has a molecular weight of 2833.41 g/mol, XLogP of 22.19, 37 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylpyridazin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3,4-oxadiazol-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyridazin-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 158203700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).