N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen

C76H93F3N22O5S3 — CID 159317207

IUPACN-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen
SMILESCCN(C)C(=O)c1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(N3CC(O)(C4CC4)C3)n2)cc1.COC1CN(c2cc(Nc3cc(C)[nH]n3)nc(Sc3ccc(NC(=O)c4ccccc4C(F)(F)F)cc3)n2)C1.Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)c4ccccc4N(C)C)cc3)n2)n[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H24F3N7O2S.C26H28N8OS.C24H29N7O2S.6H2/c1-15-11-22(35-34-15)31-21-12-23(36-13-17(14-36)38-2)33-25(32-21)39-18-9-7-16(8-10-18)30-24(37)19-5-3-4-6-20(19)26(27,28)29;1-17-15-23(32-31-17)28-22-16-24(34-13-6-14-34)30-26(29-22)36-19-11-9-18(10-12-19)27-25(35)20-7-4-5-8-21(20)33(2)3;1-4-30(3)22(32)16-5-9-18(10-6-16)34-23-26-19(25-20-11-15(2)28-29-20)12-21(27-23)31-13-24(33,14-31)17-7-8-17;;;;;;/h3-12,17H,13-14H2,1-2H3,(H,30,37)(H2,31,32,33,34,35);4-5,7-12,15-16H,6,13-14H2,1-3H3,(H,27,35)(H2,28,29,30,31,32);5-6,9-12,17,33H,4,7-8,13-14H2,1-3H3,(H2,25,26,27,28,29);6*1H
InChIKeyLDHDYQVNVOHNGG-UHFFFAOYSA-N
MW1547.92 g/mol
LogP15.37
Rot. Bonds24

About N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen

N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen (PubChem CID 159317207) has the molecular formula C76H93F3N22O5S3 and a molecular weight of 1547.92 g/mol. Its IUPAC name is N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen
PubChem CID159317207
Molecular FormulaC76H93F3N22O5S3
Molecular Weight1547.92 g/mol
Exact Mass1546.68
IUPAC NameN-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen
SMILESCCN(C)C(=O)c1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(N3CC(O)(C4CC4)C3)n2)cc1.COC1CN(c2cc(Nc3cc(C)[nH]n3)nc(Sc3ccc(NC(=O)c4ccccc4C(F)(F)F)cc3)n2)C1.Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)c4ccccc4N(C)C)cc3)n2)n[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H24F3N7O2S.C26H28N8OS.C24H29N7O2S.6H2/c1-15-11-22(35-34-15)31-21-12-23(36-13-17(14-36)38-2)33-25(32-21)39-18-9-7-16(8-10-18)30-24(37)19-5-3-4-6-20(19)26(27,28)29;1-17-15-23(32-31-17)28-22-16-24(34-13-6-14-34)30-26(29-22)36-19-11-9-18(10-12-19)27-25(35)20-7-4-5-8-21(20)33(2)3;1-4-30(3)22(32)16-5-9-18(10-6-16)34-23-26-19(25-20-11-15(2)28-29-20)12-21(27-23)31-13-24(33,14-31)17-7-8-17;;;;;;/h3-12,17H,13-14H2,1-2H3,(H,30,37)(H2,31,32,33,34,35);4-5,7-12,15-16H,6,13-14H2,1-3H3,(H,27,35)(H2,28,29,30,31,32);5-6,9-12,17,33H,4,7-8,13-14H2,1-3H3,(H2,25,26,27,28,29);6*1H
InChIKeyLDHDYQVNVOHNGG-UHFFFAOYSA-N
XLogP15.37
TPSA320.40 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001547.92
LogP ≤ 515.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen with MolForge

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Related Compounds

N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,2-difluorocyclopropane-1-carboxamide;N-[4-[4-(3-butoxy-3-cyclopropylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide;N-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-3-fluorophenyl]cyclopropanecarboxamide;methane;molecular hydrogen
CID 157258252
N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide;N-[4-[4-(3,3-difluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;ethyl [3-methyl-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]sulfanylpyrimidin-4-yl]azetidin-3-yl] hydrogen phosphate;molecular hydrogen
CID 157342858
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-4,4,4-trifluorobutanamide;2-tert-butyl-N-[4-[4-(3-cyano-3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(5-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide;molecular hydrogen
CID 157440327
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(2-chlorophenyl)acetamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(3-chlorophenyl)acetamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen
CID 157636958
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]pyrrolidin-2-one;molecular hydrogen
CID 158312715
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3-[(dimethylamino)methyl]benzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-4-[(dimethylamino)methyl]benzamide;3-cyclopropyl-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(1,1,1-trifluorobutan-2-ylamino)phenyl]sulfanylpyrimidin-4-yl]azetidin-3-ol;molecular hydrogen
CID 158355409
2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen
CID 158654860
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,2-dimethylpropanamide;N-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,2-difluorocyclopropane-1-carboxamide;N-[4-[4-(3-hydroxy-3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen
CID 158698144
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,2-difluorocyclopropane-1-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,2-dimethylpropanamide;2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-(2,2-difluorocyclopropyl)ethanone;molecular hydrogen
CID 158856322
1-cyclopropyl-3-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propan-2-one;6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-(4-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen
CID 159171368
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-4,4,4-trifluorobutanamide;1-[2-[4-[2-(2-tert-butylphenyl)-2-oxoethyl]phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-3-methylazetidine-3-carbonitrile;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(5-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;molecular hydrogen
CID 159251988
N-[4-[4-(azetidin-1-ylmethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]pyrrolidin-2-one;3-cyclopropyl-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-naphthalen-2-ylsulfanylpyrimidin-4-yl]azetidin-3-ol;molecular hydrogen
CID 159421986

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen?
The IUPAC name of N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen (CID 159317207) is N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen.
What is the SMILES notation for N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen?
The canonical SMILES for N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen is CCN(C)C(=O)c1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(N3CC(O)(C4CC4)C3)n2)cc1.COC1CN(c2cc(Nc3cc(C)[nH]n3)nc(Sc3ccc(NC(=O)c4ccccc4C(F)(F)F)cc3)n2)C1.Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)c4ccccc4N(C)C)cc3)n2)n[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen?
The InChIKey is LDHDYQVNVOHNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O2S.C26H28N8OS.C24H29N7O2S.6H2/c1-15-11-22(35-34-15)31-21-12-23(36-13-17(14-36)38-2)33-25(32-21)39-18-9-7-16(8-10-18)30-24(37)19-5-3-4-6-20(19)26(27,28)29;1-17-15-23(32-31-17)28-22-16-24(34-13-6-14-34)30-26(29-22)36-19-11-9-18(10-12-19)27-25(35)20-7-4-5-8-21(20)33(2)3;1-4-30(3)22(32)16-5-9-18(10-6-16)34-23-26-19(25-20-11-15(2)28-29-20)12-21(27-23)31-13-24(33,14-31)17-7-8-17;;;;;;/h3-12,17H,13-14H2,1-2H3,(H,30,37)(H2,31,32,33,34,35);4-5,7-12,15-16H,6,13-14H2,1-3H3,(H,27,35)(H2,28,29,30,31,32);5-6,9-12,17,33H,4,7-8,13-14H2,1-3H3,(H2,25,26,27,28,29);6*1H.
What are the key properties of N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen?
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen has a molecular weight of 1547.92 g/mol, XLogP of 15.37, 24 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(dimethylamino)benzamide;4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-N-ethyl-N-methylbenzamide;N-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen is sourced from PubChem (CID 159317207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).