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

C77H95F3N20O4S3 — CID 159251988

IUPACN-[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
SMILESCc1cc(Nc2cc(N3CC(C)(C#N)C3)nc(Sc3ccc(CC(=O)c4ccccc4C(C)(C)C)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CC4(CCCO4)C3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)CCC(F)(F)F)cc3)n2)n[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C31H33N7OS.C25H28N6O2S.C21H22F3N7OS.6H2/c1-20-14-27(37-36-20)33-26-16-28(38-18-31(5,17-32)19-38)35-29(34-26)40-22-12-10-21(11-13-22)15-25(39)23-8-6-7-9-24(23)30(2,3)4;1-16-11-22(30-29-16)26-21-13-23(31-14-25(15-31)9-2-10-33-25)28-24(27-21)34-19-7-3-17(4-8-19)12-20(32)18-5-6-18;1-13-11-17(30-29-13)26-16-12-18(31-9-2-10-31)28-20(27-16)33-15-5-3-14(4-6-15)25-19(32)7-8-21(22,23)24;;;;;;/h6-14,16H,15,18-19H2,1-5H3,(H2,33,34,35,36,37);3-4,7-8,11,13,18H,2,5-6,9-10,12,14-15H2,1H3,(H2,26,27,28,29,30);3-6,11-12H,2,7-10H2,1H3,(H,25,32)(H2,26,27,28,29,30);6*1H
InChIKeyKVKIEJVKNPUJAZ-UHFFFAOYSA-N
MW1517.94 g/mol
LogP17.14
Rot. Bonds24

About 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

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 (PubChem CID 159251988) has the molecular formula C77H95F3N20O4S3 and a molecular weight of 1517.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID159251988
Molecular FormulaC77H95F3N20O4S3
Molecular Weight1517.94 g/mol
Exact Mass1516.70
IUPAC NameN-[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
SMILESCc1cc(Nc2cc(N3CC(C)(C#N)C3)nc(Sc3ccc(CC(=O)c4ccccc4C(C)(C)C)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CC4(CCCO4)C3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)CCC(F)(F)F)cc3)n2)n[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C31H33N7OS.C25H28N6O2S.C21H22F3N7OS.6H2/c1-20-14-27(37-36-20)33-26-16-28(38-18-31(5,17-32)19-38)35-29(34-26)40-22-12-10-21(11-13-22)15-25(39)23-8-6-7-9-24(23)30(2,3)4;1-16-11-22(30-29-16)26-21-13-23(31-14-25(15-31)9-2-10-33-25)28-24(27-21)34-19-7-3-17(4-8-19)12-20(32)18-5-6-18;1-13-11-17(30-29-13)26-16-12-18(31-9-2-10-31)28-20(27-16)33-15-5-3-14(4-6-15)25-19(32)7-8-21(22,23)24;;;;;;/h6-14,16H,15,18-19H2,1-5H3,(H2,33,34,35,36,37);3-4,7-8,11,13,18H,2,5-6,9-10,12,14-15H2,1H3,(H2,26,27,28,29,30);3-6,11-12H,2,7-10H2,1H3,(H,25,32)(H2,26,27,28,29,30);6*1H
InChIKeyKVKIEJVKNPUJAZ-UHFFFAOYSA-N
XLogP17.14
TPSA305.45 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001517.94
LogP ≤ 517.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 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 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-(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]-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
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
N-[4-[4-(3,3-dimethyl-1-oxa-6-azaspiro[3.3]heptan-6-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-[4-[3-hydroxy-3-(2-methylphenyl)cyclobutyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-[4-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-[4-(3-methyl-3-propan-2-yloxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide;molecular hydrogen
CID 159771701

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]-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Nc2cc(N3CC(C)(C#N)C3)nc(Sc3ccc(CC(=O)c4ccccc4C(C)(C)C)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CC4(CCCO4)C3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)CCC(F)(F)F)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]-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?
The InChIKey is KVKIEJVKNPUJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7OS.C25H28N6O2S.C21H22F3N7OS.6H2/c1-20-14-27(37-36-20)33-26-16-28(38-18-31(5,17-32)19-38)35-29(34-26)40-22-12-10-21(11-13-22)15-25(39)23-8-6-7-9-24(23)30(2,3)4;1-16-11-22(30-29-16)26-21-13-23(31-14-25(15-31)9-2-10-33-25)28-24(27-21)34-19-7-3-17(4-8-19)12-20(32)18-5-6-18;1-13-11-17(30-29-13)26-16-12-18(31-9-2-10-31)28-20(27-16)33-15-5-3-14(4-6-15)25-19(32)7-8-21(22,23)24;;;;;;/h6-14,16H,15,18-19H2,1-5H3,(H2,33,34,35,36,37);3-4,7-8,11,13,18H,2,5-6,9-10,12,14-15H2,1H3,(H2,26,27,28,29,30);3-6,11-12H,2,7-10H2,1H3,(H,25,32)(H2,26,27,28,29,30);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]-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?
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 has a molecular weight of 1517.94 g/mol, XLogP of 17.14, 24 rotatable bonds, 7 hydrogen bond donors, and 23 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]-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 is sourced from PubChem (CID 159251988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).