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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen

C85H111Cl2N29O11S7 — CID 159210574

IUPACN-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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen
SMILESCC(=O)c1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1.CC1CC1c1cc(Nc2nc(-c3ccc(S(=O)(=O)NC(C)(C)C)s3)ncc2Cl)n[nH]1.CC1CC1c1cc(Nc2nc(-c3ccc(S(N)(=O)=O)s3)ncc2Cl)n[nH]1.NS(=O)(=O)c1cc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)ccc1O.NS(=O)(=O)c1ccc(-c2ncc(CCCO)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/C19H23ClN6O2S2.C18H17N5O.C17H20N6O3S2.C16H16N6O3S.C15H15ClN6O2S2.10H2/c1-10-7-11(10)13-8-15(25-24-13)22-17-12(20)9-21-18(23-17)14-5-6-16(29-14)30(27,28)26-19(2,3)4;1-11(24)13-3-2-4-14(9-13)18-19-8-7-16(21-18)20-17-10-15(22-23-17)12-5-6-12;18-28(25,26)15-6-5-13(27-15)17-19-9-11(2-1-7-24)16(21-17)20-14-8-12(22-23-14)10-3-4-10;17-26(24,25)13-7-10(3-4-12(13)23)16-18-6-5-14(20-16)19-15-8-11(21-22-15)9-1-2-9;1-7-4-8(7)10-5-12(22-21-10)19-14-9(16)6-18-15(20-14)11-2-3-13(25-11)26(17,23)24;;;;;;;;;;/h5-6,8-11,26H,7H2,1-4H3,(H2,21,22,23,24,25);2-4,7-10,12H,5-6H2,1H3,(H2,19,20,21,22,23);5-6,8-10,24H,1-4,7H2,(H2,18,25,26)(H2,19,20,21,22,23);3-9,23H,1-2H2,(H2,17,24,25)(H2,18,19,20,21,22);2-3,5-8H,4H2,1H3,(H2,17,23,24)(H2,18,19,20,21,22);10*1H
InChIKeyKQLBWBPPEBOJIZ-UHFFFAOYSA-N
MW2010.39 g/mol
LogP17.73
Rot. Bonds29

About 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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen

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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen (PubChem CID 159210574) has the molecular formula C85H111Cl2N29O11S7 and a molecular weight of 2010.39 g/mol. Its IUPAC name is 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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen.

Molecular Properties

Compound NameN-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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen
PubChem CID159210574
Molecular FormulaC85H111Cl2N29O11S7
Molecular Weight2010.39 g/mol
Exact Mass2007.64
IUPAC NameN-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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen
SMILESCC(=O)c1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1.CC1CC1c1cc(Nc2nc(-c3ccc(S(=O)(=O)NC(C)(C)C)s3)ncc2Cl)n[nH]1.CC1CC1c1cc(Nc2nc(-c3ccc(S(N)(=O)=O)s3)ncc2Cl)n[nH]1.NS(=O)(=O)c1cc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)ccc1O.NS(=O)(=O)c1ccc(-c2ncc(CCCO)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/C19H23ClN6O2S2.C18H17N5O.C17H20N6O3S2.C16H16N6O3S.C15H15ClN6O2S2.10H2/c1-10-7-11(10)13-8-15(25-24-13)22-17-12(20)9-21-18(23-17)14-5-6-16(29-14)30(27,28)26-19(2,3)4;1-11(24)13-3-2-4-14(9-13)18-19-8-7-16(21-18)20-17-10-15(22-23-17)12-5-6-12;18-28(25,26)15-6-5-13(27-15)17-19-9-11(2-1-7-24)16(21-17)20-14-8-12(22-23-14)10-3-4-10;17-26(24,25)13-7-10(3-4-12(13)23)16-18-6-5-14(20-16)19-15-8-11(21-22-15)9-1-2-9;1-7-4-8(7)10-5-12(22-21-10)19-14-9(16)6-18-15(20-14)11-2-3-13(25-11)26(17,23)24;;;;;;;;;;/h5-6,8-11,26H,7H2,1-4H3,(H2,21,22,23,24,25);2-4,7-10,12H,5-6H2,1H3,(H2,19,20,21,22,23);5-6,8-10,24H,1-4,7H2,(H2,18,25,26)(H2,19,20,21,22,23);3-9,23H,1-2H2,(H2,17,24,25)(H2,18,19,20,21,22);2-3,5-8H,4H2,1H3,(H2,17,23,24)(H2,18,19,20,21,22);10*1H
InChIKeyKQLBWBPPEBOJIZ-UHFFFAOYSA-N
XLogP17.73
TPSA616.63 Ų
H-Bond Donors16
H-Bond Acceptors34
Rotatable Bonds29
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002010.39
LogP ≤ 517.73
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1034

Analyze 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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen?
The IUPAC name of 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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen (CID 159210574) is 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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen.
What is the SMILES notation for 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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen?
The canonical SMILES for 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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen is CC(=O)c1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1.CC1CC1c1cc(Nc2nc(-c3ccc(S(=O)(=O)NC(C)(C)C)s3)ncc2Cl)n[nH]1.CC1CC1c1cc(Nc2nc(-c3ccc(S(N)(=O)=O)s3)ncc2Cl)n[nH]1.NS(=O)(=O)c1cc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)ccc1O.NS(=O)(=O)c1ccc(-c2ncc(CCCO)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 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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen?
The InChIKey is KQLBWBPPEBOJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O2S2.C18H17N5O.C17H20N6O3S2.C16H16N6O3S.C15H15ClN6O2S2.10H2/c1-10-7-11(10)13-8-15(25-24-13)22-17-12(20)9-21-18(23-17)14-5-6-16(29-14)30(27,28)26-19(2,3)4;1-11(24)13-3-2-4-14(9-13)18-19-8-7-16(21-18)20-17-10-15(22-23-17)12-5-6-12;18-28(25,26)15-6-5-13(27-15)17-19-9-11(2-1-7-24)16(21-17)20-14-8-12(22-23-14)10-3-4-10;17-26(24,25)13-7-10(3-4-12(13)23)16-18-6-5-14(20-16)19-15-8-11(21-22-15)9-1-2-9;1-7-4-8(7)10-5-12(22-21-10)19-14-9(16)6-18-15(20-14)11-2-3-13(25-11)26(17,23)24;;;;;;;;;;/h5-6,8-11,26H,7H2,1-4H3,(H2,21,22,23,24,25);2-4,7-10,12H,5-6H2,1H3,(H2,19,20,21,22,23);5-6,8-10,24H,1-4,7H2,(H2,18,25,26)(H2,19,20,21,22,23);3-9,23H,1-2H2,(H2,17,24,25)(H2,18,19,20,21,22);2-3,5-8H,4H2,1H3,(H2,17,23,24)(H2,18,19,20,21,22);10*1H.
What are the key properties of 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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen?
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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen has a molecular weight of 2010.39 g/mol, XLogP of 17.73, 29 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen is sourced from PubChem (CID 159210574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).