3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen

C66H86Cl4N22O6S4 — CID 160642234

IUPAC3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen
SMILESCN(CCO)S(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.C[C@@H](O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.C[C@H](O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NC(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H21ClN6O3S.2C16H16ClN5OS.C15H13ClN6OS.10H2/c1-26(7-8-27)30(28,29)14-4-2-3-13(9-14)18-21-11-15(20)19(23-18)22-17-10-16(24-25-17)12-5-6-12;2*1-8(23)12-4-5-13(24-12)16-18-7-10(17)15(20-16)19-14-6-11(21-22-14)9-2-3-9;16-8-6-18-15(11-4-3-10(24-11)13(17)23)20-14(8)19-12-5-9(21-22-12)7-1-2-7;;;;;;;;;;/h2-4,9-12,27H,5-8H2,1H3,(H2,21,22,23,24,25);2*4-9,23H,2-3H2,1H3,(H2,18,19,20,21,22);3-7H,1-2H2,(H2,17,23)(H2,18,19,20,21,22);10*1H/t;2*8-;;;;;;;;;;;/m.10.........../s1
InChIKeyRJIDFEBUTAGNSF-KUBWUJFQSA-N
MW1553.64 g/mol
LogP17.03
Rot. Bonds23

About 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen

3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen (PubChem CID 160642234) has the molecular formula C66H86Cl4N22O6S4 and a molecular weight of 1553.64 g/mol. Its IUPAC name is 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen.

Molecular Properties

Compound Name3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen
PubChem CID160642234
Molecular FormulaC66H86Cl4N22O6S4
Molecular Weight1553.64 g/mol
Exact Mass1550.47
IUPAC Name3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen
SMILESCN(CCO)S(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.C[C@@H](O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.C[C@H](O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NC(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H21ClN6O3S.2C16H16ClN5OS.C15H13ClN6OS.10H2/c1-26(7-8-27)30(28,29)14-4-2-3-13(9-14)18-21-11-15(20)19(23-18)22-17-10-16(24-25-17)12-5-6-12;2*1-8(23)12-4-5-13(24-12)16-18-7-10(17)15(20-16)19-14-6-11(21-22-14)9-2-3-9;16-8-6-18-15(11-4-3-10(24-11)13(17)23)20-14(8)19-12-5-9(21-22-12)7-1-2-7;;;;;;;;;;/h2-4,9-12,27H,5-8H2,1H3,(H2,21,22,23,24,25);2*4-9,23H,2-3H2,1H3,(H2,18,19,20,21,22);3-7H,1-2H2,(H2,17,23)(H2,18,19,20,21,22);10*1H/t;2*8-;;;;;;;;;;;/m.10.........../s1
InChIKeyRJIDFEBUTAGNSF-KUBWUJFQSA-N
XLogP17.03
TPSA407.12 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001553.64
LogP ≤ 517.03
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Analyze 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen with MolForge

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Related Compounds

2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen
CID 157056951
N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrrol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen
CID 157698524
N-tert-butyl-5-[5-chloro-4-[[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-hydroxybenzenesulfonamide;molecular hydrogen
CID 157700161
N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-sulfonamide;4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylbenzenesulfonamide;1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanone;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 157747492
2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]benzamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylthiophene-2-sulfonamide;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylbenzenesulfonamide;4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenol;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]acetonitrile;molecular hydrogen
CID 157998305
benzyl 3-[3-[[5-chloro-2-(5-sulfamoylthiophen-2-yl)pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylate;tert-butyl N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]carbamate;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfinylthiophen-2-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 158038966
N-(2-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 158201842
5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboximidamide;1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethane-1,2-diol;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethane-1,2-diol;molecular hydrogen
CID 158598531
2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]benzamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylthiophene-2-sulfonamide;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylbenzenesulfonamide;4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenol;molecular hydrogen
CID 158600152
(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-1-ol;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonyl-2,2-dimethylpropanamide;methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidine-2-carboxylate;molecular hydrogen
CID 158645036
2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;ethyl 2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-hydroxyacetate;molecular hydrogen
CID 158674127
5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propan-2-ol;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]phenyl]acetonitrile;molecular hydrogen
CID 158735315

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen?
The IUPAC name of 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen (CID 160642234) is 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen.
What is the SMILES notation for 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen?
The canonical SMILES for 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen is CN(CCO)S(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.C[C@@H](O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.C[C@H](O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NC(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[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 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen?
The InChIKey is RJIDFEBUTAGNSF-KUBWUJFQSA-N. The full InChI is InChI=1S/C19H21ClN6O3S.2C16H16ClN5OS.C15H13ClN6OS.10H2/c1-26(7-8-27)30(28,29)14-4-2-3-13(9-14)18-21-11-15(20)19(23-18)22-17-10-16(24-25-17)12-5-6-12;2*1-8(23)12-4-5-13(24-12)16-18-7-10(17)15(20-16)19-14-6-11(21-22-14)9-2-3-9;16-8-6-18-15(11-4-3-10(24-11)13(17)23)20-14(8)19-12-5-9(21-22-12)7-1-2-7;;;;;;;;;;/h2-4,9-12,27H,5-8H2,1H3,(H2,21,22,23,24,25);2*4-9,23H,2-3H2,1H3,(H2,18,19,20,21,22);3-7H,1-2H2,(H2,17,23)(H2,18,19,20,21,22);10*1H/t;2*8-;;;;;;;;;;;/m.10.........../s1.
What are the key properties of 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen?
3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen has a molecular weight of 1553.64 g/mol, XLogP of 17.03, 23 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxamide;(1R)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen is sourced from PubChem (CID 160642234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).