5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-tert-butylthiophene-2-sulfonamide;tert-butyl N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen

C71H98BrN25O7S4 — CID 158506750

About 5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-tert-butylthiophene-2-sulfonamide;tert-butyl N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen

5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-tert-butylthiophene-2-sulfonamide;tert-butyl N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen (PubChem CID 158506750) has the molecular formula C71H98BrN25O7S4 and a molecular weight of 1621.90 g/mol. Its IUPAC name is 5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-tert-butylthiophene-2-sulfonamide;tert-butyl N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-tert-butylthiophene-2-sulfonamide;tert-butyl N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen
• PubChem CID: 158506750
• Molecular Formula: C71H98BrN25O7S4
• Molecular Weight: 1621.90 g/mol
• Exact Mass: 1619.61
• IUPAC Name: 5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-tert-butylthiophene-2-sulfonamide;tert-butyl N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen
• SMILES: C#Cc1cnc(N2CCCCC2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1Nc1cc(C2CC2)[nH]n1.CC(C)(C)NS(=O)(=O)c1ccc(-c2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NS(=O)(=O)c1ccc(-c2ncc(CO)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C21H27N7O2.C18H21BrN6O2S2.C17H20N6.C15H16N6O3S2.7H2/c1-5-13-11-22-19(25-18(13)24-17-10-16(26-27-17)14-6-7-14)28-9-8-15(12-28)23-20(29)30-21(2,3)4;1-18(2,3)25-29(26,27)15-7-6-13(28-15)17-20-9-11(19)16(22-17)21-14-8-12(23-24-14)10-4-5-10;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;16-26(23,24)13-4-3-11(25-13)15-17-6-9(7-22)14(19-15)18-12-5-10(20-21-12)8-1-2-8;;;;;;;/h1,10-11,14-15H,6-9,12H2,2-4H3,(H,23,29)(H2,22,24,25,26,27);6-10,25H,4-5H2,1-3H3,(H2,20,21,22,23,24);1,10-11,13H,3-9H2,(H2,18,19,20,21,22);3-6,8,22H,1-2,7H2,(H2,16,23,24)(H2,17,18,19,20,21);7*1H/t15-;;;;;;;;;;/m1........../s1
• InChIKey: HKOAYUCDGHAVIQ-MPROMRISSA-N
• XLogP: 13.50
• TPSA: 437.33 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1621.90
LogP ≤ 5	13.50
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-tert-butylthiophene-2-sulfonamide;tert-butyl N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen?

The IUPAC name of 5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-tert-butylthiophene-2-sulfonamide;tert-butyl N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen (CID 158506750) is 5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-tert-butylthiophene-2-sulfonamide;tert-butyl N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen.

What is the SMILES notation for 5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-tert-butylthiophene-2-sulfonamide;tert-butyl N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen?

The canonical SMILES for 5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-tert-butylthiophene-2-sulfonamide;tert-butyl N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen is C#Cc1cnc(N2CCCCC2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1Nc1cc(C2CC2)[nH]n1.CC(C)(C)NS(=O)(=O)c1ccc(-c2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NS(=O)(=O)c1ccc(-c2ncc(CO)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-tert-butylthiophene-2-sulfonamide;tert-butyl N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen?

The InChIKey is HKOAYUCDGHAVIQ-MPROMRISSA-N. The full InChI is InChI=1S/C21H27N7O2.C18H21BrN6O2S2.C17H20N6.C15H16N6O3S2.7H2/c1-5-13-11-22-19(25-18(13)24-17-10-16(26-27-17)14-6-7-14)28-9-8-15(12-28)23-20(29)30-21(2,3)4;1-18(2,3)25-29(26,27)15-7-6-13(28-15)17-20-9-11(19)16(22-17)21-14-8-12(23-24-14)10-4-5-10;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;16-26(23,24)13-4-3-11(25-13)15-17-6-9(7-22)14(19-15)18-12-5-10(20-21-12)8-1-2-8;;;;;;;/h1,10-11,14-15H,6-9,12H2,2-4H3,(H,23,29)(H2,22,24,25,26,27);6-10,25H,4-5H2,1-3H3,(H2,20,21,22,23,24);1,10-11,13H,3-9H2,(H2,18,19,20,21,22);3-6,8,22H,1-2,7H2,(H2,16,23,24)(H2,17,18,19,20,21);7*1H/t15-;;;;;;;;;;/m1........../s1.

What are the key properties of 5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-tert-butylthiophene-2-sulfonamide;tert-butyl N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen?

5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-tert-butylthiophene-2-sulfonamide;tert-butyl N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen has a molecular weight of 1621.90 g/mol, XLogP of 13.50, 21 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-tert-butylthiophene-2-sulfonamide;tert-butyl N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 158506750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).