1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one

C146H156Cl4N28O20 — CID 158609167

IUPAC1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one
SMILESCC(c1ccccc1)n1ccc(-c2ccnc(N[C@@H](C)CO)n2)cc1=O.C[C@@H](CO)Nc1nccc(-c2ccn(C(CO)c3ccc(Cl)cc3)c(=O)c2)n1.C[C@@H](CO)Nc1nccc(-c2ccn(C(CO)c3cccc(Cl)c3)c(=O)c2)n1.C[C@@H](CO)Nc1nccc(-c2ccn(C(CO)c3ccccc3)c(=O)c2)n1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1C(CO)c1ccc(Cl)cc1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1C(CO)c1ccccc1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cccc(Cl)c1
InChIInChI=1S/2C22H23ClN4O3.C22H24N4O3.2C20H21ClN4O3.C20H22N4O3.C20H22N4O2/c23-17-3-1-15(2-4-17)20(14-28)27-10-6-16(13-21(27)29)19-5-9-24-22(26-19)25-18-7-11-30-12-8-18;23-17-3-1-2-16(12-17)20(14-28)27-9-5-15(13-21(27)29)19-4-8-24-22(26-19)25-18-6-10-30-11-7-18;27-15-20(16-4-2-1-3-5-16)26-11-7-17(14-21(26)28)19-6-10-23-22(25-19)24-18-8-12-29-13-9-18;1-13(11-26)23-20-22-8-6-17(24-20)15-7-9-25(19(28)10-15)18(12-27)14-2-4-16(21)5-3-14;1-13(11-26)23-20-22-7-5-17(24-20)14-6-8-25(19(28)10-14)18(12-27)15-3-2-4-16(21)9-15;1-14(12-25)22-20-21-9-7-17(23-20)16-8-10-24(19(27)11-16)18(13-26)15-5-3-2-4-6-15;1-14(13-25)22-20-21-10-8-18(23-20)17-9-11-24(19(26)12-17)15(2)16-6-4-3-5-7-16/h1-6,9-10,13,18,20,28H,7-8,11-12,14H2,(H,24,25,26);1-5,8-9,12-13,18,20,28H,6-7,10-11,14H2,(H,24,25,26);1-7,10-11,14,18,20,27H,8-9,12-13,15H2,(H,23,24,25);2*2-10,13,18,26-27H,11-12H2,1H3,(H,22,23,24);2-11,14,18,25-26H,12-13H2,1H3,(H,21,22,23);3-12,14-15,25H,13H2,1-2H3,(H,21,22,23)/t;20-;;2*13-,18?;14-,18?;14-,15?/m.1.0000/s1
InChIKeyHWPOXRLKUGSUGA-IEINLKDGSA-N
MW2764.84 g/mol
LogP17.79
Rot. Bonds45

About 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one

1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one (PubChem CID 158609167) has the molecular formula C146H156Cl4N28O20 and a molecular weight of 2764.84 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one
PubChem CID158609167
Molecular FormulaC146H156Cl4N28O20
Molecular Weight2764.84 g/mol
Exact Mass2761.08
IUPAC Name1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one
SMILESCC(c1ccccc1)n1ccc(-c2ccnc(N[C@@H](C)CO)n2)cc1=O.C[C@@H](CO)Nc1nccc(-c2ccn(C(CO)c3ccc(Cl)cc3)c(=O)c2)n1.C[C@@H](CO)Nc1nccc(-c2ccn(C(CO)c3cccc(Cl)c3)c(=O)c2)n1.C[C@@H](CO)Nc1nccc(-c2ccn(C(CO)c3ccccc3)c(=O)c2)n1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1C(CO)c1ccc(Cl)cc1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1C(CO)c1ccccc1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cccc(Cl)c1
InChIInChI=1S/2C22H23ClN4O3.C22H24N4O3.2C20H21ClN4O3.C20H22N4O3.C20H22N4O2/c23-17-3-1-15(2-4-17)20(14-28)27-10-6-16(13-21(27)29)19-5-9-24-22(26-19)25-18-7-11-30-12-8-18;23-17-3-1-2-16(12-17)20(14-28)27-9-5-15(13-21(27)29)19-4-8-24-22(26-19)25-18-6-10-30-11-7-18;27-15-20(16-4-2-1-3-5-16)26-11-7-17(14-21(26)28)19-6-10-23-22(25-19)24-18-8-12-29-13-9-18;1-13(11-26)23-20-22-8-6-17(24-20)15-7-9-25(19(28)10-15)18(12-27)14-2-4-16(21)5-3-14;1-13(11-26)23-20-22-7-5-17(24-20)14-6-8-25(19(28)10-14)18(12-27)15-3-2-4-16(21)9-15;1-14(12-25)22-20-21-9-7-17(23-20)16-8-10-24(19(27)11-16)18(13-26)15-5-3-2-4-6-15;1-14(13-25)22-20-21-10-8-18(23-20)17-9-11-24(19(26)12-17)15(2)16-6-4-3-5-7-16/h1-6,9-10,13,18,20,28H,7-8,11-12,14H2,(H,24,25,26);1-5,8-9,12-13,18,20,28H,6-7,10-11,14H2,(H,24,25,26);1-7,10-11,14,18,20,27H,8-9,12-13,15H2,(H,23,24,25);2*2-10,13,18,26-27H,11-12H2,1H3,(H,22,23,24);2-11,14,18,25-26H,12-13H2,1H3,(H,21,22,23);3-12,14-15,25H,13H2,1-2H3,(H,21,22,23)/t;20-;;2*13-,18?;14-,18?;14-,15?/m.1.0000/s1
InChIKeyHWPOXRLKUGSUGA-IEINLKDGSA-N
XLogP17.79
TPSA648.66 Ų
H-Bond Donors17
H-Bond Acceptors48
Rotatable Bonds45
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002764.84
LogP ≤ 517.79
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1048

Analyze 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(1s)-1-(4-Chloro-3-Fluorophenyl)-2-Hydroxyethyl]-4-[2-(Tetrahydro-2h-Pyran-4-Ylamino)pyrimidin-4-Yl]pyridin-2(1h)-One
CID 71727133
1-[1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 78160623
1-[1-(3,5-Dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 78160782
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-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 84973100
1-[1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 89794864
1-[1-(4-Chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 89795025
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 89795096
1-[1-(3-Chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 71728187
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)-2-hydroxyethyl]-3-fluoro-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 78160679
1-[1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 78160884

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one?
The IUPAC name of 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one (CID 158609167) is 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one?
The canonical SMILES for 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one is CC(c1ccccc1)n1ccc(-c2ccnc(N[C@@H](C)CO)n2)cc1=O.C[C@@H](CO)Nc1nccc(-c2ccn(C(CO)c3ccc(Cl)cc3)c(=O)c2)n1.C[C@@H](CO)Nc1nccc(-c2ccn(C(CO)c3cccc(Cl)c3)c(=O)c2)n1.C[C@@H](CO)Nc1nccc(-c2ccn(C(CO)c3ccccc3)c(=O)c2)n1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1C(CO)c1ccc(Cl)cc1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1C(CO)c1ccccc1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one?
The InChIKey is HWPOXRLKUGSUGA-IEINLKDGSA-N. The full InChI is InChI=1S/2C22H23ClN4O3.C22H24N4O3.2C20H21ClN4O3.C20H22N4O3.C20H22N4O2/c23-17-3-1-15(2-4-17)20(14-28)27-10-6-16(13-21(27)29)19-5-9-24-22(26-19)25-18-7-11-30-12-8-18;23-17-3-1-2-16(12-17)20(14-28)27-9-5-15(13-21(27)29)19-4-8-24-22(26-19)25-18-6-10-30-11-7-18;27-15-20(16-4-2-1-3-5-16)26-11-7-17(14-21(26)28)19-6-10-23-22(25-19)24-18-8-12-29-13-9-18;1-13(11-26)23-20-22-8-6-17(24-20)15-7-9-25(19(28)10-15)18(12-27)14-2-4-16(21)5-3-14;1-13(11-26)23-20-22-7-5-17(24-20)14-6-8-25(19(28)10-14)18(12-27)15-3-2-4-16(21)9-15;1-14(12-25)22-20-21-9-7-17(23-20)16-8-10-24(19(27)11-16)18(13-26)15-5-3-2-4-6-15;1-14(13-25)22-20-21-10-8-18(23-20)17-9-11-24(19(26)12-17)15(2)16-6-4-3-5-7-16/h1-6,9-10,13,18,20,28H,7-8,11-12,14H2,(H,24,25,26);1-5,8-9,12-13,18,20,28H,6-7,10-11,14H2,(H,24,25,26);1-7,10-11,14,18,20,27H,8-9,12-13,15H2,(H,23,24,25);2*2-10,13,18,26-27H,11-12H2,1H3,(H,22,23,24);2-11,14,18,25-26H,12-13H2,1H3,(H,21,22,23);3-12,14-15,25H,13H2,1-2H3,(H,21,22,23)/t;20-;;2*13-,18?;14-,18?;14-,15?/m.1.0000/s1.
What are the key properties of 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one?
1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one has a molecular weight of 2764.84 g/mol, XLogP of 17.79, 45 rotatable bonds, 17 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one is sourced from PubChem (CID 158609167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).