1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one

C158H154Cl5F4N35O18 — CID 159557636

IUPAC1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCCc1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)n(C)n1.COc1cc(C(CO)n2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)ccc1Cl.Cc1[nH]c2ccccc2c1Cn1ccc(-c2ccnc(NC3CCOCC3)n2)cc1=O.Cc1nnc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)o1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1[nH]c2ccccc2c1Cl.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2ccc(Cl)cc2[nH]1.O=c1cc(-c2ccnc(N[C@H]3CCOC[C@H]3F)n2)ccn1C(CO)c1cccc(F)c1
InChIInChI=1S/C24H25N5O2.C23H22ClFN6O2.2C23H22ClN5O2.C23H25ClN4O4.C22H22F2N4O3.C20H16ClFN6O3/c1-16-20(19-4-2-3-5-22(19)26-16)15-29-11-7-17(14-23(29)30)21-6-10-25-24(28-21)27-18-8-12-31-13-9-18;1-3-16-12-21(30(2)29-16)28-23-26-8-6-19(27-23)14-7-9-31(22(33)11-14)20(13-32)15-4-5-17(24)18(25)10-15;24-17-2-1-15-11-19(26-21(15)13-17)14-29-8-4-16(12-22(29)30)20-3-7-25-23(28-20)27-18-5-9-31-10-6-18;24-22-17-3-1-2-4-19(17)27-20(22)14-29-10-6-15(13-21(29)30)18-5-9-25-23(28-18)26-16-7-11-31-12-8-16;1-31-21-12-16(2-3-18(21)24)20(14-29)28-9-5-15(13-22(28)30)19-4-8-25-23(27-19)26-17-6-10-32-11-7-17;23-16-3-1-2-15(10-16)20(12-29)28-8-5-14(11-21(28)30)18-4-7-25-22(26-18)27-19-6-9-31-13-17(19)24;1-11-26-27-20(31-11)25-19-23-6-4-16(24-19)12-5-7-28(18(30)9-12)17(10-29)13-2-3-14(21)15(22)8-13/h2-7,10-11,14,18,26H,8-9,12-13,15H2,1H3,(H,25,27,28);4-12,20,32H,3,13H2,1-2H3,(H,26,27,28);1-4,7-8,11-13,18,26H,5-6,9-10,14H2,(H,25,27,28);1-6,9-10,13,16,27H,7-8,11-12,14H2,(H,25,26,28);2-5,8-9,12-13,17,20,29H,6-7,10-11,14H2,1H3,(H,25,26,27);1-5,7-8,10-11,17,19-20,29H,6,9,12-13H2,(H,25,26,27);2-9,17,29H,10H2,1H3,(H,23,24,25,27)/t;20-;;;;17-,19+,20?;17-/m.1...11/s1
InChIKeyMGETTYCYSVUEAG-LCOYSSKHSA-N
MW3084.45 g/mol
LogP24.43
Rot. Bonds41

About 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one

1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one (PubChem CID 159557636) has the molecular formula C158H154Cl5F4N35O18 and a molecular weight of 3084.45 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[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-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
PubChem CID159557636
Molecular FormulaC158H154Cl5F4N35O18
Molecular Weight3084.45 g/mol
Exact Mass3080.06
IUPAC Name1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCCc1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)n(C)n1.COc1cc(C(CO)n2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)ccc1Cl.Cc1[nH]c2ccccc2c1Cn1ccc(-c2ccnc(NC3CCOCC3)n2)cc1=O.Cc1nnc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)o1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1[nH]c2ccccc2c1Cl.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2ccc(Cl)cc2[nH]1.O=c1cc(-c2ccnc(N[C@H]3CCOC[C@H]3F)n2)ccn1C(CO)c1cccc(F)c1
InChIInChI=1S/C24H25N5O2.C23H22ClFN6O2.2C23H22ClN5O2.C23H25ClN4O4.C22H22F2N4O3.C20H16ClFN6O3/c1-16-20(19-4-2-3-5-22(19)26-16)15-29-11-7-17(14-23(29)30)21-6-10-25-24(28-21)27-18-8-12-31-13-9-18;1-3-16-12-21(30(2)29-16)28-23-26-8-6-19(27-23)14-7-9-31(22(33)11-14)20(13-32)15-4-5-17(24)18(25)10-15;24-17-2-1-15-11-19(26-21(15)13-17)14-29-8-4-16(12-22(29)30)20-3-7-25-23(28-20)27-18-5-9-31-10-6-18;24-22-17-3-1-2-4-19(17)27-20(22)14-29-10-6-15(13-21(29)30)18-5-9-25-23(28-18)26-16-7-11-31-12-8-16;1-31-21-12-16(2-3-18(21)24)20(14-29)28-9-5-15(13-22(28)30)19-4-8-25-23(27-19)26-17-6-10-32-11-7-17;23-16-3-1-2-15(10-16)20(12-29)28-8-5-14(11-21(28)30)18-4-7-25-22(26-18)27-19-6-9-31-13-17(19)24;1-11-26-27-20(31-11)25-19-23-6-4-16(24-19)12-5-7-28(18(30)9-12)17(10-29)13-2-3-14(21)15(22)8-13/h2-7,10-11,14,18,26H,8-9,12-13,15H2,1H3,(H,25,27,28);4-12,20,32H,3,13H2,1-2H3,(H,26,27,28);1-4,7-8,11-13,18,26H,5-6,9-10,14H2,(H,25,27,28);1-6,9-10,13,16,27H,7-8,11-12,14H2,(H,25,26,28);2-5,8-9,12-13,17,20,29H,6-7,10-11,14H2,1H3,(H,25,26,27);1-5,7-8,10-11,17,19-20,29H,6,9,12-13H2,(H,25,26,27);2-9,17,29H,10H2,1H3,(H,23,24,25,27)/t;20-;;;;17-,19+,20?;17-/m.1...11/s1
InChIKeyMGETTYCYSVUEAG-LCOYSSKHSA-N
XLogP24.43
TPSA659.08 Ų
H-Bond Donors14
H-Bond Acceptors50
Rotatable Bonds41
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003084.45
LogP ≤ 524.43
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[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-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[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-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one (CID 159557636) is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[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-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[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-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one is CCc1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)n(C)n1.COc1cc(C(CO)n2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)ccc1Cl.Cc1[nH]c2ccccc2c1Cn1ccc(-c2ccnc(NC3CCOCC3)n2)cc1=O.Cc1nnc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)o1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1[nH]c2ccccc2c1Cl.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2ccc(Cl)cc2[nH]1.O=c1cc(-c2ccnc(N[C@H]3CCOC[C@H]3F)n2)ccn1C(CO)c1cccc(F)c1.
What is the InChIKey of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The InChIKey is MGETTYCYSVUEAG-LCOYSSKHSA-N. The full InChI is InChI=1S/C24H25N5O2.C23H22ClFN6O2.2C23H22ClN5O2.C23H25ClN4O4.C22H22F2N4O3.C20H16ClFN6O3/c1-16-20(19-4-2-3-5-22(19)26-16)15-29-11-7-17(14-23(29)30)21-6-10-25-24(28-21)27-18-8-12-31-13-9-18;1-3-16-12-21(30(2)29-16)28-23-26-8-6-19(27-23)14-7-9-31(22(33)11-14)20(13-32)15-4-5-17(24)18(25)10-15;24-17-2-1-15-11-19(26-21(15)13-17)14-29-8-4-16(12-22(29)30)20-3-7-25-23(28-20)27-18-5-9-31-10-6-18;24-22-17-3-1-2-4-19(17)27-20(22)14-29-10-6-15(13-21(29)30)18-5-9-25-23(28-18)26-16-7-11-31-12-8-16;1-31-21-12-16(2-3-18(21)24)20(14-29)28-9-5-15(13-22(28)30)19-4-8-25-23(27-19)26-17-6-10-32-11-7-17;23-16-3-1-2-15(10-16)20(12-29)28-8-5-14(11-21(28)30)18-4-7-25-22(26-18)27-19-6-9-31-13-17(19)24;1-11-26-27-20(31-11)25-19-23-6-4-16(24-19)12-5-7-28(18(30)9-12)17(10-29)13-2-3-14(21)15(22)8-13/h2-7,10-11,14,18,26H,8-9,12-13,15H2,1H3,(H,25,27,28);4-12,20,32H,3,13H2,1-2H3,(H,26,27,28);1-4,7-8,11-13,18,26H,5-6,9-10,14H2,(H,25,27,28);1-6,9-10,13,16,27H,7-8,11-12,14H2,(H,25,26,28);2-5,8-9,12-13,17,20,29H,6-7,10-11,14H2,1H3,(H,25,26,27);1-5,7-8,10-11,17,19-20,29H,6,9,12-13H2,(H,25,26,27);2-9,17,29H,10H2,1H3,(H,23,24,25,27)/t;20-;;;;17-,19+,20?;17-/m.1...11/s1.
What are the key properties of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one has a molecular weight of 3084.45 g/mol, XLogP of 24.43, 41 rotatable bonds, 14 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(2-methyl-1H-indol-3-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 159557636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).