5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen

C79H83ClFN27O5S6 — CID 159837175

IUPAC5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.COC/C=C/c1cnc(-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1.Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.Cc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1.Fc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1.[H][H].[H][H]
InChIInChI=1S/C20H21N5O.C15H15ClN6O2S2.C15H16N6O2S2.C15H15N5S.C14H12FN5S.2H2/c1-26-11-5-8-16-13-21-19(15-6-3-2-4-7-15)23-20(16)22-18-12-17(24-25-18)14-9-10-14;1-17-26(23,24)13-5-4-11(25-13)15-18-7-9(16)14(20-15)19-12-6-10(21-22-12)8-2-3-8;1-8-7-17-15(11-4-5-13(24-11)25(16,22)23)19-14(8)18-12-6-10(20-21-12)9-2-3-9;1-9-8-16-15(12-3-2-6-21-12)18-14(9)17-13-7-11(19-20-13)10-4-5-10;15-9-7-16-14(11-2-1-5-21-11)18-13(9)17-12-6-10(19-20-12)8-3-4-8;;/h2-8,12-14H,9-11H2,1H3,(H2,21,22,23,24,25);4-8,17H,2-3H2,1H3,(H2,18,19,20,21,22);4-7,9H,2-3H2,1H3,(H2,16,22,23)(H2,17,18,19,20,21);2-3,6-8,10H,4-5H2,1H3,(H2,16,17,18,19,20);1-2,5-8H,3-4H2,(H2,16,17,18,19,20);2*1H/b8-5+;;;;;;
InChIKeyNOFOZNTZHOXNFN-JPQDCGGWSA-N
MW1737.57 g/mol
LogP17.80
Rot. Bonds26

About 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen

5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen (PubChem CID 159837175) has the molecular formula C79H83ClFN27O5S6 and a molecular weight of 1737.57 g/mol. Its IUPAC name is 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Name5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen
PubChem CID159837175
Molecular FormulaC79H83ClFN27O5S6
Molecular Weight1737.57 g/mol
Exact Mass1735.51
IUPAC Name5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.COC/C=C/c1cnc(-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1.Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.Cc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1.Fc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1.[H][H].[H][H]
InChIInChI=1S/C20H21N5O.C15H15ClN6O2S2.C15H16N6O2S2.C15H15N5S.C14H12FN5S.2H2/c1-26-11-5-8-16-13-21-19(15-6-3-2-4-7-15)23-20(16)22-18-12-17(24-25-18)14-9-10-14;1-17-26(23,24)13-5-4-11(25-13)15-18-7-9(16)14(20-15)19-12-6-10(21-22-12)8-2-3-8;1-8-7-17-15(11-4-5-13(24-11)25(16,22)23)19-14(8)18-12-6-10(20-21-12)9-2-3-9;1-9-8-16-15(12-3-2-6-21-12)18-14(9)17-13-7-11(19-20-13)10-4-5-10;15-9-7-16-14(11-2-1-5-21-11)18-13(9)17-12-6-10(19-20-12)8-3-4-8;;/h2-8,12-14H,9-11H2,1H3,(H2,21,22,23,24,25);4-8,17H,2-3H2,1H3,(H2,18,19,20,21,22);4-7,9H,2-3H2,1H3,(H2,16,22,23)(H2,17,18,19,20,21);2-3,6-8,10H,4-5H2,1H3,(H2,16,17,18,19,20);1-2,5-8H,3-4H2,(H2,16,17,18,19,20);2*1H/b8-5+;;;;;;
InChIKeyNOFOZNTZHOXNFN-JPQDCGGWSA-N
XLogP17.80
TPSA448.01 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001737.57
LogP ≤ 517.80
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Analyze 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen with MolForge

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Related Compounds

5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen
CID 157164958
5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethyl-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen
CID 157254731
2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen
CID 157353255
2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen
CID 157392737
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-[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
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-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxyprop-1-ynyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide
CID 157805539
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
tert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen
CID 158182982
N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]methanesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(dimethylamino)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 158412056
N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(E)-3-(2,2-dimethylpropylsulfonyl)prop-1-enyl]pyridin-2-amine;molecular hydrogen
CID 158484335
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethyl-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethyl-2-piperidin-1-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;molecular hydrogen
CID 158590385

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen?
The IUPAC name of 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen (CID 159837175) is 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen.
What is the SMILES notation for 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen?
The canonical SMILES for 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen is CNS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.COC/C=C/c1cnc(-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1.Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.Cc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1.Fc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1.[H][H].[H][H].
What is the InChIKey of 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen?
The InChIKey is NOFOZNTZHOXNFN-JPQDCGGWSA-N. The full InChI is InChI=1S/C20H21N5O.C15H15ClN6O2S2.C15H16N6O2S2.C15H15N5S.C14H12FN5S.2H2/c1-26-11-5-8-16-13-21-19(15-6-3-2-4-7-15)23-20(16)22-18-12-17(24-25-18)14-9-10-14;1-17-26(23,24)13-5-4-11(25-13)15-18-7-9(16)14(20-15)19-12-6-10(21-22-12)8-2-3-8;1-8-7-17-15(11-4-5-13(24-11)25(16,22)23)19-14(8)18-12-6-10(20-21-12)9-2-3-9;1-9-8-16-15(12-3-2-6-21-12)18-14(9)17-13-7-11(19-20-13)10-4-5-10;15-9-7-16-14(11-2-1-5-21-11)18-13(9)17-12-6-10(19-20-12)8-3-4-8;;/h2-8,12-14H,9-11H2,1H3,(H2,21,22,23,24,25);4-8,17H,2-3H2,1H3,(H2,18,19,20,21,22);4-7,9H,2-3H2,1H3,(H2,16,22,23)(H2,17,18,19,20,21);2-3,6-8,10H,4-5H2,1H3,(H2,16,17,18,19,20);1-2,5-8H,3-4H2,(H2,16,17,18,19,20);2*1H/b8-5+;;;;;;.
What are the key properties of 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen?
5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen has a molecular weight of 1737.57 g/mol, XLogP of 17.80, 26 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 159837175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).