1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one

C155H165Cl6F3N32O19 — CID 158149539

IUPAC1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one
SMILESC[C@@H](c1ccccc1)n1ccc(-c2ccnc(NC3CCOCC3)n2)cc1=O.Cc1cc([C@@H](CO)n2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)n(C)n1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1C(c1ccc(Cl)c(F)c1)[C@@H]1CCCN1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cc(F)cc(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccc(Cl)cc1Cl.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cccc(Cl)c1Cl.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cncc(Cl)c1
InChIInChI=1S/C25H27ClFN5O2.2C22H22Cl2N4O3.C22H22F2N4O3.C22H24N4O2.C21H22ClN5O3.C21H26N6O3/c26-19-4-3-17(14-20(19)27)24(22-2-1-9-28-22)32-11-6-16(15-23(32)33)21-5-10-29-25(31-21)30-18-7-12-34-13-8-18;23-15-1-2-17(18(24)12-15)20(13-29)28-8-4-14(11-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16;23-17-3-1-2-16(21(17)24)19(13-29)28-9-5-14(12-20(28)30)18-4-8-25-22(27-18)26-15-6-10-31-11-7-15;23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18;1-16(17-5-3-2-4-6-17)26-12-8-18(15-21(26)27)20-7-11-23-22(25-20)24-19-9-13-28-14-10-19;22-16-9-15(11-23-12-16)19(13-28)27-6-2-14(10-20(27)29)18-1-5-24-21(26-18)25-17-3-7-30-8-4-17;1-14-11-18(26(2)25-14)19(13-28)27-8-4-15(12-20(27)29)17-3-7-22-21(24-17)23-16-5-9-30-10-6-16/h3-6,10-11,14-15,18,22,24,28H,1-2,7-9,12-13H2,(H,29,30,31);1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27);1-5,8-9,12,15,19,29H,6-7,10-11,13H2,(H,25,26,27);1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27);2-8,11-12,15-16,19H,9-10,13-14H2,1H3,(H,23,24,25);1-2,5-6,9-12,17,19,28H,3-4,7-8,13H2,(H,24,25,26);3-4,7-8,11-12,16,19,28H,5-6,9-10,13H2,1-2H3,(H,22,23,24)/t22-,24?;20-;19-;20-;16-;2*19-/m0111011/s1
InChIKeyFUXVHZNKLFDVPJ-SQQBGVQRSA-N
MW3049.94 g/mol
LogP21.91
Rot. Bonds41

About 1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one

1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one (PubChem CID 158149539) has the molecular formula C155H165Cl6F3N32O19 and a molecular weight of 3049.94 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one
PubChem CID158149539
Molecular FormulaC155H165Cl6F3N32O19
Molecular Weight3049.94 g/mol
Exact Mass3045.10
IUPAC Name1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one
SMILESC[C@@H](c1ccccc1)n1ccc(-c2ccnc(NC3CCOCC3)n2)cc1=O.Cc1cc([C@@H](CO)n2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)n(C)n1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1C(c1ccc(Cl)c(F)c1)[C@@H]1CCCN1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cc(F)cc(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccc(Cl)cc1Cl.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cccc(Cl)c1Cl.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cncc(Cl)c1
InChIInChI=1S/C25H27ClFN5O2.2C22H22Cl2N4O3.C22H22F2N4O3.C22H24N4O2.C21H22ClN5O3.C21H26N6O3/c26-19-4-3-17(14-20(19)27)24(22-2-1-9-28-22)32-11-6-16(15-23(32)33)21-5-10-29-25(31-21)30-18-7-12-34-13-8-18;23-15-1-2-17(18(24)12-15)20(13-29)28-8-4-14(11-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16;23-17-3-1-2-16(21(17)24)19(13-29)28-9-5-14(12-20(28)30)18-4-8-25-22(27-18)26-15-6-10-31-11-7-15;23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18;1-16(17-5-3-2-4-6-17)26-12-8-18(15-21(26)27)20-7-11-23-22(25-20)24-19-9-13-28-14-10-19;22-16-9-15(11-23-12-16)19(13-28)27-6-2-14(10-20(27)29)18-1-5-24-21(26-18)25-17-3-7-30-8-4-17;1-14-11-18(26(2)25-14)19(13-28)27-8-4-15(12-20(27)29)17-3-7-22-21(24-17)23-16-5-9-30-10-6-16/h3-6,10-11,14-15,18,22,24,28H,1-2,7-9,12-13H2,(H,29,30,31);1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27);1-5,8-9,12,15,19,29H,6-7,10-11,13H2,(H,25,26,27);1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27);2-8,11-12,15-16,19H,9-10,13-14H2,1H3,(H,23,24,25);1-2,5-6,9-12,17,19,28H,3-4,7-8,13H2,(H,24,25,26);3-4,7-8,11-12,16,19,28H,5-6,9-10,13H2,1-2H3,(H,22,23,24)/t22-,24?;20-;19-;20-;16-;2*19-/m0111011/s1
InChIKeyFUXVHZNKLFDVPJ-SQQBGVQRSA-N
XLogP21.91
TPSA627.17 Ų
H-Bond Donors13
H-Bond Acceptors51
Rotatable Bonds41
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003049.94
LogP ≤ 521.91
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1051

Analyze 1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one (CID 158149539) is 1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one is C[C@@H](c1ccccc1)n1ccc(-c2ccnc(NC3CCOCC3)n2)cc1=O.Cc1cc([C@@H](CO)n2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)n(C)n1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1C(c1ccc(Cl)c(F)c1)[C@@H]1CCCN1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cc(F)cc(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccc(Cl)cc1Cl.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cccc(Cl)c1Cl.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cncc(Cl)c1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one?
The InChIKey is FUXVHZNKLFDVPJ-SQQBGVQRSA-N. The full InChI is InChI=1S/C25H27ClFN5O2.2C22H22Cl2N4O3.C22H22F2N4O3.C22H24N4O2.C21H22ClN5O3.C21H26N6O3/c26-19-4-3-17(14-20(19)27)24(22-2-1-9-28-22)32-11-6-16(15-23(32)33)21-5-10-29-25(31-21)30-18-7-12-34-13-8-18;23-15-1-2-17(18(24)12-15)20(13-29)28-8-4-14(11-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16;23-17-3-1-2-16(21(17)24)19(13-29)28-9-5-14(12-20(28)30)18-4-8-25-22(27-18)26-15-6-10-31-11-7-15;23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18;1-16(17-5-3-2-4-6-17)26-12-8-18(15-21(26)27)20-7-11-23-22(25-20)24-19-9-13-28-14-10-19;22-16-9-15(11-23-12-16)19(13-28)27-6-2-14(10-20(27)29)18-1-5-24-21(26-18)25-17-3-7-30-8-4-17;1-14-11-18(26(2)25-14)19(13-28)27-8-4-15(12-20(27)29)17-3-7-22-21(24-17)23-16-5-9-30-10-6-16/h3-6,10-11,14-15,18,22,24,28H,1-2,7-9,12-13H2,(H,29,30,31);1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27);1-5,8-9,12,15,19,29H,6-7,10-11,13H2,(H,25,26,27);1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27);2-8,11-12,15-16,19H,9-10,13-14H2,1H3,(H,23,24,25);1-2,5-6,9-12,17,19,28H,3-4,7-8,13H2,(H,24,25,26);3-4,7-8,11-12,16,19,28H,5-6,9-10,13H2,1-2H3,(H,22,23,24)/t22-,24?;20-;19-;20-;16-;2*19-/m0111011/s1.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one?
1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one has a molecular weight of 3049.94 g/mol, XLogP of 21.91, 41 rotatable bonds, 13 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(1S)-1-phenylethyl]pyridin-2-one is sourced from PubChem (CID 158149539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).