1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate

C141H118Cl6F6N32O16 — CID 159415850

IUPAC1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1.Cc1c(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cnn1C1CC1.Cc1cc(Nc2ncc(F)c(-c3ccn([C@H](CO)c4ccc(Cl)cc4)c(=O)c3)n2)ccn1.Cc1cnccc1Nc1ncc(F)c(-c2ccn([C@H](CO)c3ccc(Cl)cc3)c(=O)c2)n1.Cc1nn(C2CC2)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.O=C(O)c1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1
InChIInChI=1S/2C24H22ClFN6O2.C24H19ClFN5O4.C23H17ClFN5O4.2C23H19ClFN5O2/c1-14-21(12-32(30-14)17-3-4-17)29-24-27-8-6-20(28-24)15-7-9-31(23(34)11-15)22(13-33)16-2-5-18(25)19(26)10-16;1-14-21(12-28-32(14)17-3-4-17)30-24-27-8-6-20(29-24)15-7-9-31(23(34)11-15)22(13-33)16-2-5-18(25)19(26)10-16;1-35-23(34)20-12-16(4-7-27-20)29-24-28-8-5-19(30-24)14-6-9-31(22(33)11-14)21(13-32)15-2-3-17(25)18(26)10-15;24-16-2-1-14(9-17(16)25)20(12-31)30-8-5-13(10-21(30)32)18-4-7-27-23(29-18)28-15-3-6-26-19(11-15)22(33)34;1-14-11-26-8-6-19(14)28-23-27-12-18(25)22(29-23)16-7-9-30(21(32)10-16)20(13-31)15-2-4-17(24)5-3-15;1-14-10-18(6-8-26-14)28-23-27-12-19(25)22(29-23)16-7-9-30(21(32)11-16)20(13-31)15-2-4-17(24)5-3-15/h2,5-12,17,22,33H,3-4,13H2,1H3,(H,27,28,29);2,5-12,17,22,33H,3-4,13H2,1H3,(H,27,29,30);2-12,21,32H,13H2,1H3,(H,27,28,29,30);1-11,20,31H,12H2,(H,33,34)(H,26,27,28,29);2*2-12,20,31H,13H2,1H3,(H,26,27,28,29)/t2*22-;21-;3*20-/m111111/s1
InChIKeyLPDNQRWHTPPKOG-DVGSQMISSA-N
MW2843.41 g/mol
LogP23.90
Rot. Bonds40

About 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate

1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate (PubChem CID 159415850) has the molecular formula C141H118Cl6F6N32O16 and a molecular weight of 2843.41 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Name1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate
PubChem CID159415850
Molecular FormulaC141H118Cl6F6N32O16
Molecular Weight2843.41 g/mol
Exact Mass2838.74
IUPAC Name1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1.Cc1c(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cnn1C1CC1.Cc1cc(Nc2ncc(F)c(-c3ccn([C@H](CO)c4ccc(Cl)cc4)c(=O)c3)n2)ccn1.Cc1cnccc1Nc1ncc(F)c(-c2ccn([C@H](CO)c3ccc(Cl)cc3)c(=O)c2)n1.Cc1nn(C2CC2)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.O=C(O)c1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1
InChIInChI=1S/2C24H22ClFN6O2.C24H19ClFN5O4.C23H17ClFN5O4.2C23H19ClFN5O2/c1-14-21(12-32(30-14)17-3-4-17)29-24-27-8-6-20(28-24)15-7-9-31(23(34)11-15)22(13-33)16-2-5-18(25)19(26)10-16;1-14-21(12-28-32(14)17-3-4-17)30-24-27-8-6-20(29-24)15-7-9-31(23(34)11-15)22(13-33)16-2-5-18(25)19(26)10-16;1-35-23(34)20-12-16(4-7-27-20)29-24-28-8-5-19(30-24)14-6-9-31(22(33)11-14)21(13-32)15-2-3-17(25)18(26)10-15;24-16-2-1-14(9-17(16)25)20(12-31)30-8-5-13(10-21(30)32)18-4-7-27-23(29-18)28-15-3-6-26-19(11-15)22(33)34;1-14-11-26-8-6-19(14)28-23-27-12-18(25)22(29-23)16-7-9-30(21(32)10-16)20(13-31)15-2-4-17(24)5-3-15;1-14-10-18(6-8-26-14)28-23-27-12-19(25)22(29-23)16-7-9-30(21(32)11-16)20(13-31)15-2-4-17(24)5-3-15/h2,5-12,17,22,33H,3-4,13H2,1H3,(H,27,28,29);2,5-12,17,22,33H,3-4,13H2,1H3,(H,27,29,30);2-12,21,32H,13H2,1H3,(H,27,28,29,30);1-11,20,31H,12H2,(H,33,34)(H,26,27,28,29);2*2-12,20,31H,13H2,1H3,(H,26,27,28,29)/t2*22-;21-;3*20-/m111111/s1
InChIKeyLPDNQRWHTPPKOG-DVGSQMISSA-N
XLogP23.90
TPSA631.04 Ų
H-Bond Donors13
H-Bond Acceptors47
Rotatable Bonds40
Heavy Atoms201
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002843.41
LogP ≤ 523.90
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1047

Analyze 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate 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-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate?
The IUPAC name of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate (CID 159415850) is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate.
What is the SMILES notation for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate?
The canonical SMILES for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate is COC(=O)c1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1.Cc1c(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cnn1C1CC1.Cc1cc(Nc2ncc(F)c(-c3ccn([C@H](CO)c4ccc(Cl)cc4)c(=O)c3)n2)ccn1.Cc1cnccc1Nc1ncc(F)c(-c2ccn([C@H](CO)c3ccc(Cl)cc3)c(=O)c2)n1.Cc1nn(C2CC2)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.O=C(O)c1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1.
What is the InChIKey of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate?
The InChIKey is LPDNQRWHTPPKOG-DVGSQMISSA-N. The full InChI is InChI=1S/2C24H22ClFN6O2.C24H19ClFN5O4.C23H17ClFN5O4.2C23H19ClFN5O2/c1-14-21(12-32(30-14)17-3-4-17)29-24-27-8-6-20(28-24)15-7-9-31(23(34)11-15)22(13-33)16-2-5-18(25)19(26)10-16;1-14-21(12-28-32(14)17-3-4-17)30-24-27-8-6-20(29-24)15-7-9-31(23(34)11-15)22(13-33)16-2-5-18(25)19(26)10-16;1-35-23(34)20-12-16(4-7-27-20)29-24-28-8-5-19(30-24)14-6-9-31(22(33)11-14)21(13-32)15-2-3-17(25)18(26)10-15;24-16-2-1-14(9-17(16)25)20(12-31)30-8-5-13(10-21(30)32)18-4-7-27-23(29-18)28-15-3-6-26-19(11-15)22(33)34;1-14-11-26-8-6-19(14)28-23-27-12-18(25)22(29-23)16-7-9-30(21(32)10-16)20(13-31)15-2-4-17(24)5-3-15;1-14-10-18(6-8-26-14)28-23-27-12-19(25)22(29-23)16-7-9-30(21(32)11-16)20(13-31)15-2-4-17(24)5-3-15/h2,5-12,17,22,33H,3-4,13H2,1H3,(H,27,28,29);2,5-12,17,22,33H,3-4,13H2,1H3,(H,27,29,30);2-12,21,32H,13H2,1H3,(H,27,28,29,30);1-11,20,31H,12H2,(H,33,34)(H,26,27,28,29);2*2-12,20,31H,13H2,1H3,(H,26,27,28,29)/t2*22-;21-;3*20-/m111111/s1.
What are the key properties of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate?
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate has a molecular weight of 2843.41 g/mol, XLogP of 23.90, 40 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 159415850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).