2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-2-ol;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidine-5-carboxylic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-pyrrolidin-1-ylpyrimidin-4-amine;molecular hydrogen

C70H84N24O8S5 — CID 158735812

About 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-2-ol;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidine-5-carboxylic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-pyrrolidin-1-ylpyrimidin-4-amine;molecular hydrogen

2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-2-ol;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidine-5-carboxylic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-pyrrolidin-1-ylpyrimidin-4-amine;molecular hydrogen (PubChem CID 158735812) has the molecular formula C70H84N24O8S5 and a molecular weight of 1549.94 g/mol. Its IUPAC name is 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-2-ol;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidine-5-carboxylic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-pyrrolidin-1-ylpyrimidin-4-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-2-ol;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidine-5-carboxylic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-pyrrolidin-1-ylpyrimidin-4-amine;molecular hydrogen
• PubChem CID: 158735812
• Molecular Formula: C70H84N24O8S5
• Molecular Weight: 1549.94 g/mol
• Exact Mass: 1548.55
• IUPAC Name: 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-2-ol;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidine-5-carboxylic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-pyrrolidin-1-ylpyrimidin-4-amine;molecular hydrogen
• SMILES: C#Cc1cnc(-c2ccc(C(C)(C)O)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(-c2ccc(S(=O)(=O)NCCNC(C)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CCCC2)nc1Nc1cc(C2CC2)[nH]n1.NS(=O)(=O)c1ccc(-c2ncc(C(=O)O)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C20H21N7O3S2.C19H19N5OS.C16H18N6.C15H14N6O4S2.6H2/c1-3-13-11-22-20(25-19(13)24-17-10-15(26-27-17)14-4-5-14)16-6-7-18(31-16)32(29,30)23-9-8-21-12(2)28;1-4-11-10-20-18(14-7-8-15(26-14)19(2,3)25)22-17(11)21-16-9-13(23-24-16)12-5-6-12;1-2-11-10-17-16(22-7-3-4-8-22)19-15(11)18-14-9-13(20-21-14)12-5-6-12;16-27(24,25)12-4-3-10(26-12)14-17-6-8(15(22)23)13(19-14)18-11-5-9(20-21-11)7-1-2-7;;;;;;/h1,6-7,10-11,14,23H,4-5,8-9H2,2H3,(H,21,28)(H2,22,24,25,26,27);1,7-10,12,25H,5-6H2,2-3H3,(H2,20,21,22,23,24);1,9-10,12H,3-8H2,(H2,17,18,19,20,21);3-7H,1-2H2,(H,22,23)(H2,16,24,25)(H2,17,18,19,20,21);6*1H
• InChIKey: ILQWYQKYRTWCJK-UHFFFAOYSA-N
• XLogP: 11.48
• TPSA: 462.16 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1549.94
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-2-ol;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidine-5-carboxylic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-pyrrolidin-1-ylpyrimidin-4-amine;molecular hydrogen?

The IUPAC name of 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-2-ol;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidine-5-carboxylic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-pyrrolidin-1-ylpyrimidin-4-amine;molecular hydrogen (CID 158735812) is 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-2-ol;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidine-5-carboxylic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-pyrrolidin-1-ylpyrimidin-4-amine;molecular hydrogen.

What is the SMILES notation for 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-2-ol;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidine-5-carboxylic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-pyrrolidin-1-ylpyrimidin-4-amine;molecular hydrogen?

The canonical SMILES for 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-2-ol;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidine-5-carboxylic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-pyrrolidin-1-ylpyrimidin-4-amine;molecular hydrogen is C#Cc1cnc(-c2ccc(C(C)(C)O)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(-c2ccc(S(=O)(=O)NCCNC(C)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CCCC2)nc1Nc1cc(C2CC2)[nH]n1.NS(=O)(=O)c1ccc(-c2ncc(C(=O)O)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-2-ol;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidine-5-carboxylic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-pyrrolidin-1-ylpyrimidin-4-amine;molecular hydrogen?

The InChIKey is ILQWYQKYRTWCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3S2.C19H19N5OS.C16H18N6.C15H14N6O4S2.6H2/c1-3-13-11-22-20(25-19(13)24-17-10-15(26-27-17)14-4-5-14)16-6-7-18(31-16)32(29,30)23-9-8-21-12(2)28;1-4-11-10-20-18(14-7-8-15(26-14)19(2,3)25)22-17(11)21-16-9-13(23-24-16)12-5-6-12;1-2-11-10-17-16(22-7-3-4-8-22)19-15(11)18-14-9-13(20-21-14)12-5-6-12;16-27(24,25)12-4-3-10(26-12)14-17-6-8(15(22)23)13(19-14)18-11-5-9(20-21-11)7-1-2-7;;;;;;/h1,6-7,10-11,14,23H,4-5,8-9H2,2H3,(H,21,28)(H2,22,24,25,26,27);1,7-10,12,25H,5-6H2,2-3H3,(H2,20,21,22,23,24);1,9-10,12H,3-8H2,(H2,17,18,19,20,21);3-7H,1-2H2,(H,22,23)(H2,16,24,25)(H2,17,18,19,20,21);6*1H.

What are the key properties of 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-2-ol;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidine-5-carboxylic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-pyrrolidin-1-ylpyrimidin-4-amine;molecular hydrogen?

2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-2-ol;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidine-5-carboxylic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-pyrrolidin-1-ylpyrimidin-4-amine;molecular hydrogen has a molecular weight of 1549.94 g/mol, XLogP of 11.48, 24 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propan-2-ol;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidine-5-carboxylic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-pyrrolidin-1-ylpyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 158735812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).