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

C64H95ClN26O9S8 — CID 158412056

About 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

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 (PubChem CID 158412056) has the molecular formula C64H95ClN26O9S8 and a molecular weight of 1664.63 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158412056
• Molecular Formula: C64H95ClN26O9S8
• Molecular Weight: 1664.63 g/mol
• Exact Mass: 1662.52
• IUPAC Name: 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
• SMILES: CN(C)c1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccc(S(N)(=O)=O)s2)n1.CNc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccc(S(N)(=O)=O)s2)n1.CS(=O)(=O)NCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NS(=O)(=O)c1ccc(-c2ncc(/C=C/CO)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].[H][H].[H][H]
• InChI: InChI=1S/C17H18N6O3S2.C16H17ClN6O2S2.C16H19N7O2S2.C15H17N7O2S2.12H2/c18-28(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;1-27(24,25)19-7-10-4-5-13(26-10)16-18-8-11(17)15(21-16)20-14-6-12(22-23-14)9-2-3-9;1-23(2)14-8-12(18-13-7-10(21-22-13)9-3-4-9)19-16(20-14)11-5-6-15(26-11)27(17,24)25;1-17-11-7-12(18-13-6-9(21-22-13)8-2-3-8)20-15(19-11)10-4-5-14(25-10)26(16,23)24;;;;;;;;;;;;/h1-2,5-6,8-10,24H,3-4,7H2,(H2,18,25,26)(H2,19,20,21,22,23);4-6,8-9,19H,2-3,7H2,1H3,(H2,18,20,21,22,23);5-9H,3-4H2,1-2H3,(H2,17,24,25)(H2,18,19,20,21,22);4-8H,2-3H2,1H3,(H2,16,23,24)(H3,17,18,19,20,21,22);12*1H/b2-1+
• InChIKey: GZKXQGBVYDWWLD-KJIGSFDTSA-N
• XLogP: 12.91
• TPSA: 528.11 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1664.63
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CN(C)c1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccc(S(N)(=O)=O)s2)n1.CNc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccc(S(N)(=O)=O)s2)n1.CS(=O)(=O)NCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NS(=O)(=O)c1ccc(-c2ncc(/C=C/CO)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].[H][H].[H][H].

What is the InChIKey of 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?

The InChIKey is GZKXQGBVYDWWLD-KJIGSFDTSA-N. The full InChI is InChI=1S/C17H18N6O3S2.C16H17ClN6O2S2.C16H19N7O2S2.C15H17N7O2S2.12H2/c18-28(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;1-27(24,25)19-7-10-4-5-13(26-10)16-18-8-11(17)15(21-16)20-14-6-12(22-23-14)9-2-3-9;1-23(2)14-8-12(18-13-7-10(21-22-13)9-3-4-9)19-16(20-14)11-5-6-15(26-11)27(17,24)25;1-17-11-7-12(18-13-6-9(21-22-13)8-2-3-8)20-15(19-11)10-4-5-14(25-10)26(16,23)24;;;;;;;;;;;;/h1-2,5-6,8-10,24H,3-4,7H2,(H2,18,25,26)(H2,19,20,21,22,23);4-6,8-9,19H,2-3,7H2,1H3,(H2,18,20,21,22,23);5-9H,3-4H2,1-2H3,(H2,17,24,25)(H2,18,19,20,21,22);4-8H,2-3H2,1H3,(H2,16,23,24)(H3,17,18,19,20,21,22);12*1H/b2-1+;;;;;;;;;;;;;;;.

What are the key properties of 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?

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 has a molecular weight of 1664.63 g/mol, XLogP of 12.91, 26 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158412056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).