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

C85H116ClFN32O4S4 — CID 157254731

IUPAC5-[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
SMILESCCc1cnc(N2CCC(N3CCCCC3)CC2)nc1Nc1cc(C2CC2)[nH]n1.CCc1cnc(N2CCCCC2)nc1Nc1cc(C2CC2)[nH]n1.CCc1cnc(N2CCN(C)CC2)nc1Nc1cc(C2CC2)[nH]n1.CNS(=O)(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H]
InChIInChI=1S/C22H33N7.C17H25N7.C17H24N6.C15H15FN6O2S2.C14H13ClN6O2S2.3H2/c1-2-16-15-23-22(25-21(16)24-20-14-19(26-27-20)17-6-7-17)29-12-8-18(9-13-29)28-10-4-3-5-11-28;1-3-12-11-18-17(24-8-6-23(2)7-9-24)20-16(12)19-15-10-14(21-22-15)13-4-5-13;1-2-12-11-18-17(23-8-4-3-5-9-23)20-16(12)19-15-10-14(21-22-15)13-6-7-13;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;15-8-6-17-14(10-3-4-12(24-10)25(16,22)23)19-13(8)18-11-5-9(20-21-11)7-1-2-7;;;/h14-15,17-18H,2-13H2,1H3,(H2,23,24,25,26,27);10-11,13H,3-9H2,1-2H3,(H2,18,19,20,21,22);10-11,13H,2-9H2,1H3,(H2,18,19,20,21,22);4-8,17H,2-3H2,1H3,(H2,18,19,20,21,22);3-7H,1-2H2,(H2,16,22,23)(H2,17,18,19,20,21);3*1H
InChIKeyAWTISWMAPNSQLT-UHFFFAOYSA-N
MW1832.80 g/mol
LogP15.53
Rot. Bonds27

About 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

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 (PubChem CID 157254731) has the molecular formula C85H116ClFN32O4S4 and a molecular weight of 1832.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID157254731
Molecular FormulaC85H116ClFN32O4S4
Molecular Weight1832.80 g/mol
Exact Mass1830.84
IUPAC Name5-[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
SMILESCCc1cnc(N2CCC(N3CCCCC3)CC2)nc1Nc1cc(C2CC2)[nH]n1.CCc1cnc(N2CCCCC2)nc1Nc1cc(C2CC2)[nH]n1.CCc1cnc(N2CCN(C)CC2)nc1Nc1cc(C2CC2)[nH]n1.CNS(=O)(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H]
InChIInChI=1S/C22H33N7.C17H25N7.C17H24N6.C15H15FN6O2S2.C14H13ClN6O2S2.3H2/c1-2-16-15-23-22(25-21(16)24-20-14-19(26-27-20)17-6-7-17)29-12-8-18(9-13-29)28-10-4-3-5-11-28;1-3-12-11-18-17(24-8-6-23(2)7-9-24)20-16(12)19-15-10-14(21-22-15)13-4-5-13;1-2-12-11-18-17(23-8-4-3-5-9-23)20-16(12)19-15-10-14(21-22-15)13-6-7-13;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;15-8-6-17-14(10-3-4-12(24-10)25(16,22)23)19-13(8)18-11-5-9(20-21-11)7-1-2-7;;;/h14-15,17-18H,2-13H2,1H3,(H2,23,24,25,26,27);10-11,13H,3-9H2,1-2H3,(H2,18,19,20,21,22);10-11,13H,2-9H2,1H3,(H2,18,19,20,21,22);4-8,17H,2-3H2,1H3,(H2,18,19,20,21,22);3-7H,1-2H2,(H2,16,22,23)(H2,17,18,19,20,21);3*1H
InChIKeyAWTISWMAPNSQLT-UHFFFAOYSA-N
XLogP15.53
TPSA454.98 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001832.80
LogP ≤ 515.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze 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 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
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
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide
CID 157598804
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
N-tert-butyl-5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-sulfonamide;molecular hydrogen
CID 157840674
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-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen
CID 158250914
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]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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cnc(N2CCC(N3CCCCC3)CC2)nc1Nc1cc(C2CC2)[nH]n1.CCc1cnc(N2CCCCC2)nc1Nc1cc(C2CC2)[nH]n1.CCc1cnc(N2CCN(C)CC2)nc1Nc1cc(C2CC2)[nH]n1.CNS(=O)(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is AWTISWMAPNSQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7.C17H25N7.C17H24N6.C15H15FN6O2S2.C14H13ClN6O2S2.3H2/c1-2-16-15-23-22(25-21(16)24-20-14-19(26-27-20)17-6-7-17)29-12-8-18(9-13-29)28-10-4-3-5-11-28;1-3-12-11-18-17(24-8-6-23(2)7-9-24)20-16(12)19-15-10-14(21-22-15)13-4-5-13;1-2-12-11-18-17(23-8-4-3-5-9-23)20-16(12)19-15-10-14(21-22-15)13-6-7-13;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;15-8-6-17-14(10-3-4-12(24-10)25(16,22)23)19-13(8)18-11-5-9(20-21-11)7-1-2-7;;;/h14-15,17-18H,2-13H2,1H3,(H2,23,24,25,26,27);10-11,13H,3-9H2,1-2H3,(H2,18,19,20,21,22);10-11,13H,2-9H2,1H3,(H2,18,19,20,21,22);4-8,17H,2-3H2,1H3,(H2,18,19,20,21,22);3-7H,1-2H2,(H2,16,22,23)(H2,17,18,19,20,21);3*1H.
What are the key properties of 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?
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 has a molecular weight of 1832.80 g/mol, XLogP of 15.53, 27 rotatable bonds, 12 hydrogen bond donors, and 31 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]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 is sourced from PubChem (CID 157254731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).