1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen

C103H146N24O8S4 — CID 160621916

IUPAC1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen
SMILESCCC(=O)Cc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(N3CC(O)(C(C)CC)C3)n2)cc1.CCC(=O)Cc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(N3CC(O)(C4CCCCC4)C3)n2)cc1.CCC(=O)Cc1ccc(Sc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CC(O)(C4CC4)C3)n2)cc1.Cc1cc(Nc2cc(N3CC(O)(C4CC4)C3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H34N6O2S.C26H30N6O2S.C25H28N6O2S.C25H32N6O2S.11H2/c1-3-21(34)14-19-9-11-22(12-10-19)36-26-29-23(28-24-13-18(2)31-32-24)15-25(30-26)33-16-27(35,17-33)20-7-5-4-6-8-20;1-2-19(33)11-16-3-9-20(10-4-16)35-25-28-22(27-23-12-21(30-31-23)17-5-6-17)13-24(29-25)32-14-26(34,15-32)18-7-8-18;1-15-10-22(30-29-15)26-21-12-23(31-13-25(33,14-31)18-6-7-18)28-24(27-21)34-19-8-2-16(3-9-19)11-20(32)17-4-5-17;1-5-16(3)25(33)14-31(15-25)23-13-21(26-22-11-17(4)29-30-22)27-24(28-23)34-20-9-7-18(8-10-20)12-19(32)6-2;;;;;;;;;;;/h9-13,15,20,35H,3-8,14,16-17H2,1-2H3,(H2,28,29,30,31,32);3-4,9-10,12-13,17-18,34H,2,5-8,11,14-15H2,1H3,(H2,27,28,29,30,31);2-3,8-10,12,17-18,33H,4-7,11,13-14H2,1H3,(H2,26,27,28,29,30);7-11,13,16,33H,5-6,12,14-15H2,1-4H3,(H2,26,27,28,29,30);11*1H
InChIKeyRGUSJTICVAWCOM-UHFFFAOYSA-N
MW1976.73 g/mol
LogP20.62
Rot. Bonds38

About 1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen

1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen (PubChem CID 160621916) has the molecular formula C103H146N24O8S4 and a molecular weight of 1976.73 g/mol. Its IUPAC name is 1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen.

Molecular Properties

Compound Name1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen
PubChem CID160621916
Molecular FormulaC103H146N24O8S4
Molecular Weight1976.73 g/mol
Exact Mass1975.06
IUPAC Name1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen
SMILESCCC(=O)Cc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(N3CC(O)(C(C)CC)C3)n2)cc1.CCC(=O)Cc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(N3CC(O)(C4CCCCC4)C3)n2)cc1.CCC(=O)Cc1ccc(Sc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CC(O)(C4CC4)C3)n2)cc1.Cc1cc(Nc2cc(N3CC(O)(C4CC4)C3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H34N6O2S.C26H30N6O2S.C25H28N6O2S.C25H32N6O2S.11H2/c1-3-21(34)14-19-9-11-22(12-10-19)36-26-29-23(28-24-13-18(2)31-32-24)15-25(30-26)33-16-27(35,17-33)20-7-5-4-6-8-20;1-2-19(33)11-16-3-9-20(10-4-16)35-25-28-22(27-23-12-21(30-31-23)17-5-6-17)13-24(29-25)32-14-26(34,15-32)18-7-8-18;1-15-10-22(30-29-15)26-21-12-23(31-13-25(33,14-31)18-6-7-18)28-24(27-21)34-19-8-2-16(3-9-19)11-20(32)17-4-5-17;1-5-16(3)25(33)14-31(15-25)23-13-21(26-22-11-17(4)29-30-22)27-24(28-23)34-20-9-7-18(8-10-20)12-19(32)6-2;;;;;;;;;;;/h9-13,15,20,35H,3-8,14,16-17H2,1-2H3,(H2,28,29,30,31,32);3-4,9-10,12-13,17-18,34H,2,5-8,11,14-15H2,1H3,(H2,27,28,29,30,31);2-3,8-10,12,17-18,33H,4-7,11,13-14H2,1H3,(H2,26,27,28,29,30);7-11,13,16,33H,5-6,12,14-15H2,1-4H3,(H2,26,27,28,29,30);11*1H
InChIKeyRGUSJTICVAWCOM-UHFFFAOYSA-N
XLogP20.62
TPSA428.12 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001976.73
LogP ≤ 520.62
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze 1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen with MolForge

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Related Compounds

1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one
CID 160621918
1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;methane;molecular hydrogen
CID 159108479
N-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide;methane;molecular hydrogen
CID 159668654
1-[4-[4-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one
CID 59611760
1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-3-fluorophenyl]ethanone;molecular hydrogen
CID 157163272
methane;molecular hydrogen;4,4,4-trifluoro-1-[4-[4-(3-fluoro-3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one
CID 160715733
1-[4-[4-[4-(5-fluoro-2-methoxyphenyl)-4-hydroxypiperidin-1-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one
CID 58493670
N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 10481248
N-[4-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide;molecular hydrogen
CID 160723480
2-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-(2,6-dichlorophenyl)ethanone
CID 59611831
tert-butyl 2-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetate
CID 59611736
6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen
CID 159414488

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen?
The IUPAC name of 1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen (CID 160621916) is 1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen.
What is the SMILES notation for 1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen?
The canonical SMILES for 1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen is CCC(=O)Cc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(N3CC(O)(C(C)CC)C3)n2)cc1.CCC(=O)Cc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(N3CC(O)(C4CCCCC4)C3)n2)cc1.CCC(=O)Cc1ccc(Sc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CC(O)(C4CC4)C3)n2)cc1.Cc1cc(Nc2cc(N3CC(O)(C4CC4)C3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen?
The InChIKey is RGUSJTICVAWCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2S.C26H30N6O2S.C25H28N6O2S.C25H32N6O2S.11H2/c1-3-21(34)14-19-9-11-22(12-10-19)36-26-29-23(28-24-13-18(2)31-32-24)15-25(30-26)33-16-27(35,17-33)20-7-5-4-6-8-20;1-2-19(33)11-16-3-9-20(10-4-16)35-25-28-22(27-23-12-21(30-31-23)17-5-6-17)13-24(29-25)32-14-26(34,15-32)18-7-8-18;1-15-10-22(30-29-15)26-21-12-23(31-13-25(33,14-31)18-6-7-18)28-24(27-21)34-19-8-2-16(3-9-19)11-20(32)17-4-5-17;1-5-16(3)25(33)14-31(15-25)23-13-21(26-22-11-17(4)29-30-22)27-24(28-23)34-20-9-7-18(8-10-20)12-19(32)6-2;;;;;;;;;;;/h9-13,15,20,35H,3-8,14,16-17H2,1-2H3,(H2,28,29,30,31,32);3-4,9-10,12-13,17-18,34H,2,5-8,11,14-15H2,1H3,(H2,27,28,29,30,31);2-3,8-10,12,17-18,33H,4-7,11,13-14H2,1H3,(H2,26,27,28,29,30);7-11,13,16,33H,5-6,12,14-15H2,1-4H3,(H2,26,27,28,29,30);11*1H.
What are the key properties of 1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen?
1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen has a molecular weight of 1976.73 g/mol, XLogP of 20.62, 38 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one;molecular hydrogen is sourced from PubChem (CID 160621916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).