5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-bromopyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-bromothiophene-2-sulfonyl chloride;3-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylpropan-1-amine;2,5-dibromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]sulfonylpropan-1-amine;ethynyl(trimethyl)silane

C85H119BBr6ClN23O13S10Si — CID 157171715

About 5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-bromopyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-bromothiophene-2-sulfonyl chloride;3-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylpropan-1-amine;2,5-dibromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]sulfonylpropan-1-amine;ethynyl(trimethyl)silane

5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-bromopyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-bromothiophene-2-sulfonyl chloride;3-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylpropan-1-amine;2,5-dibromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]sulfonylpropan-1-amine;ethynyl(trimethyl)silane (PubChem CID 157171715) has the molecular formula C85H119BBr6ClN23O13S10Si and a molecular weight of 2545.48 g/mol. Its IUPAC name is 5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-bromopyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-bromothiophene-2-sulfonyl chloride;3-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylpropan-1-amine;2,5-dibromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]sulfonylpropan-1-amine;ethynyl(trimethyl)silane.

Molecular Properties

• Compound Name: 5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-bromopyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-bromothiophene-2-sulfonyl chloride;3-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylpropan-1-amine;2,5-dibromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]sulfonylpropan-1-amine;ethynyl(trimethyl)silane
• PubChem CID: 157171715
• Molecular Formula: C85H119BBr6ClN23O13S10Si
• Molecular Weight: 2545.48 g/mol
• Exact Mass: 2537.12
• IUPAC Name: 5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-bromopyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-bromothiophene-2-sulfonyl chloride;3-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylpropan-1-amine;2,5-dibromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]sulfonylpropan-1-amine;ethynyl(trimethyl)silane
• SMILES: Brc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1.C#C[Si](C)(C)C.CC(=O)n1nc(Nc2nc(-c3ccc(S(=O)(=O)NCCN(C)C)s3)ncc2Br)cc1C1CC1.CN(C)CCCS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1.CN(C)CCCS(=O)(=O)c1ccc(Br)s1.CN(C)CCN.CN(C)CCNS(=O)(=O)c1ccc(-c2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=S(=O)(Cl)c1ccc(Br)s1
• InChI: InChI=1S/C20H24BrN7O3S2.C18H22BrN7O2S2.C15H26BNO4S2.C10H9Br2N5.C9H14BrNO2S2.C5H10Si.C4H2BrClO2S2.C4H12N2/c1-12(29)28-15(13-4-5-13)10-17(26-28)24-19-14(21)11-22-20(25-19)16-6-7-18(32-16)33(30,31)23-8-9-27(2)3;1-26(2)8-7-21-30(27,28)16-6-5-14(29-16)18-20-10-12(19)17(23-18)22-15-9-13(24-25-15)11-3-4-11;1-14(2)15(3,4)21-16(20-14)12-8-9-13(22-12)23(18,19)11-7-10-17(5)6;11-6-4-13-10(12)15-9(6)14-8-3-7(16-17-8)5-1-2-5;1-11(2)6-3-7-15(12,13)9-5-4-8(10)14-9;1-5-6(2,3)4;5-3-1-2-4(9-3)10(6,7)8;1-6(2)4-3-5/h6-7,10-11,13,23H,4-5,8-9H2,1-3H3,(H,22,24,25,26);5-6,9-11,21H,3-4,7-8H2,1-2H3,(H2,20,22,23,24,25);8-9H,7,10-11H2,1-6H3;3-5H,1-2H2,(H2,13,14,15,16,17);4-5H,3,6-7H2,1-2H3;1H,2-4H3;1-2H;3-5H2,1-2H3
• InChIKey: ANNSEQYSSSOULQ-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 461.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 35
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2545.48
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-bromopyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-bromothiophene-2-sulfonyl chloride;3-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylpropan-1-amine;2,5-dibromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]sulfonylpropan-1-amine;ethynyl(trimethyl)silane?

The IUPAC name of 5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-bromopyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-bromothiophene-2-sulfonyl chloride;3-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylpropan-1-amine;2,5-dibromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]sulfonylpropan-1-amine;ethynyl(trimethyl)silane (CID 157171715) is 5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-bromopyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-bromothiophene-2-sulfonyl chloride;3-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylpropan-1-amine;2,5-dibromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]sulfonylpropan-1-amine;ethynyl(trimethyl)silane.

What is the SMILES notation for 5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-bromopyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-bromothiophene-2-sulfonyl chloride;3-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylpropan-1-amine;2,5-dibromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]sulfonylpropan-1-amine;ethynyl(trimethyl)silane?

The canonical SMILES for 5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-bromopyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-bromothiophene-2-sulfonyl chloride;3-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylpropan-1-amine;2,5-dibromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]sulfonylpropan-1-amine;ethynyl(trimethyl)silane is Brc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1.C#C[Si](C)(C)C.CC(=O)n1nc(Nc2nc(-c3ccc(S(=O)(=O)NCCN(C)C)s3)ncc2Br)cc1C1CC1.CN(C)CCCS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1.CN(C)CCCS(=O)(=O)c1ccc(Br)s1.CN(C)CCN.CN(C)CCNS(=O)(=O)c1ccc(-c2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=S(=O)(Cl)c1ccc(Br)s1.

What is the InChIKey of 5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-bromopyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-bromothiophene-2-sulfonyl chloride;3-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylpropan-1-amine;2,5-dibromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]sulfonylpropan-1-amine;ethynyl(trimethyl)silane?

The InChIKey is ANNSEQYSSSOULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN7O3S2.C18H22BrN7O2S2.C15H26BNO4S2.C10H9Br2N5.C9H14BrNO2S2.C5H10Si.C4H2BrClO2S2.C4H12N2/c1-12(29)28-15(13-4-5-13)10-17(26-28)24-19-14(21)11-22-20(25-19)16-6-7-18(32-16)33(30,31)23-8-9-27(2)3;1-26(2)8-7-21-30(27,28)16-6-5-14(29-16)18-20-10-12(19)17(23-18)22-15-9-13(24-25-15)11-3-4-11;1-14(2)15(3,4)21-16(20-14)12-8-9-13(22-12)23(18,19)11-7-10-17(5)6;11-6-4-13-10(12)15-9(6)14-8-3-7(16-17-8)5-1-2-5;1-11(2)6-3-7-15(12,13)9-5-4-8(10)14-9;1-5-6(2,3)4;5-3-1-2-4(9-3)10(6,7)8;1-6(2)4-3-5/h6-7,10-11,13,23H,4-5,8-9H2,1-3H3,(H,22,24,25,26);5-6,9-11,21H,3-4,7-8H2,1-2H3,(H2,20,22,23,24,25);8-9H,7,10-11H2,1-6H3;3-5H,1-2H2,(H2,13,14,15,16,17);4-5H,3,6-7H2,1-2H3;1H,2-4H3;1-2H;3-5H2,1-2H3.

What are the key properties of 5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-bromopyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-bromothiophene-2-sulfonyl chloride;3-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylpropan-1-amine;2,5-dibromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]sulfonylpropan-1-amine;ethynyl(trimethyl)silane?

5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-bromopyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-bromothiophene-2-sulfonyl chloride;3-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylpropan-1-amine;2,5-dibromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]sulfonylpropan-1-amine;ethynyl(trimethyl)silane has a molecular weight of 2545.48 g/mol, XLogP of 17.23, 35 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-bromopyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-bromothiophene-2-sulfonyl chloride;3-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylpropan-1-amine;2,5-dibromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]sulfonylpropan-1-amine;ethynyl(trimethyl)silane is sourced from PubChem (CID 157171715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).