1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one

C153H152Cl7F7N30O18S — CID 161009169

IUPAC1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one
SMILESCC[C@H](c1cccc(Cl)c1)n1ccc(-c2ccnc(NC3CCS(=O)(=O)C3)n2)cc1=O.CC[C@H](c1cccc(Cl)c1)n1ccc(-c2ccnc(N[C@H]3CC[C@H](O)C3)n2)cc1=O.Cc1cc(-c2ccnc(NC3CCOCC3)n2)cc(=O)n1[C@H](CO)c1ccc(Cl)c(F)c1.Cc1cn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)cc1-c1ccnc(NC2CCOCC2)n1.Cn1ccc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)n1.O=c1cc(-c2ccnc(NC(CF)CF)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NCC3COC3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/2C23H24ClFN4O3.C23H25ClN4O2.C22H23ClN4O3S.C21H18ClFN6O2.C21H20ClFN4O3.C20H18ClF3N4O2/c1-14-12-29(21(13-30)15-2-3-18(24)19(25)10-15)22(31)11-17(14)20-4-7-26-23(28-20)27-16-5-8-32-9-6-16;1-14-10-16(20-4-7-26-23(28-20)27-17-5-8-32-9-6-17)12-22(31)29(14)21(13-30)15-2-3-18(24)19(25)11-15;1-2-21(16-4-3-5-17(24)12-16)28-11-9-15(13-22(28)30)20-8-10-25-23(27-20)26-18-6-7-19(29)14-18;1-2-20(16-4-3-5-17(23)12-16)27-10-7-15(13-21(27)28)19-6-9-24-22(26-19)25-18-8-11-31(29,30)14-18;1-28-8-6-19(27-28)26-21-24-7-4-17(25-21)13-5-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14;22-16-2-1-15(7-17(16)23)19(10-28)27-6-4-14(8-20(27)29)18-3-5-24-21(26-18)25-9-13-11-30-12-13;21-15-2-1-13(7-16(15)24)18(11-29)28-6-4-12(8-19(28)30)17-3-5-25-20(27-17)26-14(9-22)10-23/h2-4,7,10-12,16,21,30H,5-6,8-9,13H2,1H3,(H,26,27,28);2-4,7,10-12,17,21,30H,5-6,8-9,13H2,1H3,(H,26,27,28);3-5,8-13,18-19,21,29H,2,6-7,14H2,1H3,(H,25,26,27);3-7,9-10,12-13,18,20H,2,8,11,14H2,1H3,(H,24,25,26);2-11,18,30H,12H2,1H3,(H,24,25,26,27);1-8,13,19,28H,9-12H2,(H,24,25,26);1-8,14,18,29H,9-11H2,(H,25,26,27)/t2*21-;18-,19-,21+;18?,20-;18-;19-;18-/m1101111/s1
InChIKeyTWXFOMFFADKPLE-IJDRBKPWSA-N
MW3112.31 g/mol
LogP24.29
Rot. Bonds45

About 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one

1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one (PubChem CID 161009169) has the molecular formula C153H152Cl7F7N30O18S and a molecular weight of 3112.31 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one
PubChem CID161009169
Molecular FormulaC153H152Cl7F7N30O18S
Molecular Weight3112.31 g/mol
Exact Mass3106.93
IUPAC Name1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one
SMILESCC[C@H](c1cccc(Cl)c1)n1ccc(-c2ccnc(NC3CCS(=O)(=O)C3)n2)cc1=O.CC[C@H](c1cccc(Cl)c1)n1ccc(-c2ccnc(N[C@H]3CC[C@H](O)C3)n2)cc1=O.Cc1cc(-c2ccnc(NC3CCOCC3)n2)cc(=O)n1[C@H](CO)c1ccc(Cl)c(F)c1.Cc1cn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)cc1-c1ccnc(NC2CCOCC2)n1.Cn1ccc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)n1.O=c1cc(-c2ccnc(NC(CF)CF)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NCC3COC3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/2C23H24ClFN4O3.C23H25ClN4O2.C22H23ClN4O3S.C21H18ClFN6O2.C21H20ClFN4O3.C20H18ClF3N4O2/c1-14-12-29(21(13-30)15-2-3-18(24)19(25)10-15)22(31)11-17(14)20-4-7-26-23(28-20)27-16-5-8-32-9-6-16;1-14-10-16(20-4-7-26-23(28-20)27-17-5-8-32-9-6-17)12-22(31)29(14)21(13-30)15-2-3-18(24)19(25)11-15;1-2-21(16-4-3-5-17(24)12-16)28-11-9-15(13-22(28)30)20-8-10-25-23(27-20)26-18-6-7-19(29)14-18;1-2-20(16-4-3-5-17(23)12-16)27-10-7-15(13-21(27)28)19-6-9-24-22(26-19)25-18-8-11-31(29,30)14-18;1-28-8-6-19(27-28)26-21-24-7-4-17(25-21)13-5-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14;22-16-2-1-15(7-17(16)23)19(10-28)27-6-4-14(8-20(27)29)18-3-5-24-21(26-18)25-9-13-11-30-12-13;21-15-2-1-13(7-16(15)24)18(11-29)28-6-4-12(8-19(28)30)17-3-5-25-20(27-17)26-14(9-22)10-23/h2-4,7,10-12,16,21,30H,5-6,8-9,13H2,1H3,(H,26,27,28);2-4,7,10-12,17,21,30H,5-6,8-9,13H2,1H3,(H,26,27,28);3-5,8-13,18-19,21,29H,2,6-7,14H2,1H3,(H,25,26,27);3-7,9-10,12-13,18,20H,2,8,11,14H2,1H3,(H,24,25,26);2-11,18,30H,12H2,1H3,(H,24,25,26,27);1-8,13,19,28H,9-12H2,(H,24,25,26);1-8,14,18,29H,9-11H2,(H,25,26,27)/t2*21-;18-,19-,21+;18?,20-;18-;19-;18-/m1101111/s1
InChIKeyTWXFOMFFADKPLE-IJDRBKPWSA-N
XLogP24.29
TPSA619.70 Ų
H-Bond Donors13
H-Bond Acceptors48
Rotatable Bonds45
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003112.31
LogP ≤ 524.29
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1048

Analyze 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]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-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one (CID 161009169) is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one is CC[C@H](c1cccc(Cl)c1)n1ccc(-c2ccnc(NC3CCS(=O)(=O)C3)n2)cc1=O.CC[C@H](c1cccc(Cl)c1)n1ccc(-c2ccnc(N[C@H]3CC[C@H](O)C3)n2)cc1=O.Cc1cc(-c2ccnc(NC3CCOCC3)n2)cc(=O)n1[C@H](CO)c1ccc(Cl)c(F)c1.Cc1cn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)cc1-c1ccnc(NC2CCOCC2)n1.Cn1ccc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)n1.O=c1cc(-c2ccnc(NC(CF)CF)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NCC3COC3)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-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one?
The InChIKey is TWXFOMFFADKPLE-IJDRBKPWSA-N. The full InChI is InChI=1S/2C23H24ClFN4O3.C23H25ClN4O2.C22H23ClN4O3S.C21H18ClFN6O2.C21H20ClFN4O3.C20H18ClF3N4O2/c1-14-12-29(21(13-30)15-2-3-18(24)19(25)10-15)22(31)11-17(14)20-4-7-26-23(28-20)27-16-5-8-32-9-6-16;1-14-10-16(20-4-7-26-23(28-20)27-17-5-8-32-9-6-17)12-22(31)29(14)21(13-30)15-2-3-18(24)19(25)11-15;1-2-21(16-4-3-5-17(24)12-16)28-11-9-15(13-22(28)30)20-8-10-25-23(27-20)26-18-6-7-19(29)14-18;1-2-20(16-4-3-5-17(23)12-16)27-10-7-15(13-21(27)28)19-6-9-24-22(26-19)25-18-8-11-31(29,30)14-18;1-28-8-6-19(27-28)26-21-24-7-4-17(25-21)13-5-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14;22-16-2-1-15(7-17(16)23)19(10-28)27-6-4-14(8-20(27)29)18-3-5-24-21(26-18)25-9-13-11-30-12-13;21-15-2-1-13(7-16(15)24)18(11-29)28-6-4-12(8-19(28)30)17-3-5-25-20(27-17)26-14(9-22)10-23/h2-4,7,10-12,16,21,30H,5-6,8-9,13H2,1H3,(H,26,27,28);2-4,7,10-12,17,21,30H,5-6,8-9,13H2,1H3,(H,26,27,28);3-5,8-13,18-19,21,29H,2,6-7,14H2,1H3,(H,25,26,27);3-7,9-10,12-13,18,20H,2,8,11,14H2,1H3,(H,24,25,26);2-11,18,30H,12H2,1H3,(H,24,25,26,27);1-8,13,19,28H,9-12H2,(H,24,25,26);1-8,14,18,29H,9-11H2,(H,25,26,27)/t2*21-;18-,19-,21+;18?,20-;18-;19-;18-/m1101111/s1.
What are the key properties of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one?
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one has a molecular weight of 3112.31 g/mol, XLogP of 24.29, 45 rotatable bonds, 13 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-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylmethylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 161009169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).