5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridin-2-ylpyrimidin-4-amine;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;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide;molecular hydrogen

C77H98ClN25O7S5 — CID 159484907

About 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridin-2-ylpyrimidin-4-amine;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;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide;molecular hydrogen

5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridin-2-ylpyrimidin-4-amine;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;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide;molecular hydrogen (PubChem CID 159484907) has the molecular formula C77H98ClN25O7S5 and a molecular weight of 1681.59 g/mol. Its IUPAC name is 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridin-2-ylpyrimidin-4-amine;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;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide;molecular hydrogen.

Molecular Properties

• Compound Name: 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridin-2-ylpyrimidin-4-amine;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;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide;molecular hydrogen
• PubChem CID: 159484907
• Molecular Formula: C77H98ClN25O7S5
• Molecular Weight: 1681.59 g/mol
• Exact Mass: 1679.64
• IUPAC Name: 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridin-2-ylpyrimidin-4-amine;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;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide;molecular hydrogen
• SMILES: C#Cc1cnc(-c2ccc(C(C)(C)O)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(-c2ccc(S(=O)(=O)NCCNC(=O)C(C)(C)C)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(-c2ccc(S(=O)(=O)NCCNC(C)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.Clc1cnc(-c2ccccn2)nc1Nc1cc(C2CC2)[nH]n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H27N7O3S2.C20H21N7O3S2.C19H19N5OS.C15H13ClN6.9H2/c1-5-14-13-25-21(28-20(14)27-18-12-16(29-30-18)15-6-7-15)17-8-9-19(34-17)35(32,33)26-11-10-24-22(31)23(2,3)4;1-3-13-11-22-20(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;16-10-8-18-15(11-3-1-2-6-17-11)20-14(10)19-13-7-12(21-22-13)9-4-5-9;;;;;;;;;/h1,8-9,12-13,15,26H,6-7,10-11H2,2-4H3,(H,24,31)(H2,25,27,28,29,30);1,6-7,10-11,14,23H,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);1-3,6-9H,4-5H2,(H2,18,19,20,21,22);9*1H
• InChIKey: LXLPXPMZJCZBKQ-UHFFFAOYSA-N
• XLogP: 14.42
• TPSA: 449.62 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1681.59
LogP ≤ 5	14.42
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 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridin-2-ylpyrimidin-4-amine;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;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide;molecular hydrogen?

The IUPAC name of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridin-2-ylpyrimidin-4-amine;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;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide;molecular hydrogen (CID 159484907) is 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridin-2-ylpyrimidin-4-amine;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;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide;molecular hydrogen.

What is the SMILES notation for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridin-2-ylpyrimidin-4-amine;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;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide;molecular hydrogen?

The canonical SMILES for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridin-2-ylpyrimidin-4-amine;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;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide;molecular hydrogen is C#Cc1cnc(-c2ccc(C(C)(C)O)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(-c2ccc(S(=O)(=O)NCCNC(=O)C(C)(C)C)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(-c2ccc(S(=O)(=O)NCCNC(C)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.Clc1cnc(-c2ccccn2)nc1Nc1cc(C2CC2)[nH]n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridin-2-ylpyrimidin-4-amine;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;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide;molecular hydrogen?

The InChIKey is LXLPXPMZJCZBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3S2.C20H21N7O3S2.C19H19N5OS.C15H13ClN6.9H2/c1-5-14-13-25-21(28-20(14)27-18-12-16(29-30-18)15-6-7-15)17-8-9-19(34-17)35(32,33)26-11-10-24-22(31)23(2,3)4;1-3-13-11-22-20(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;16-10-8-18-15(11-3-1-2-6-17-11)20-14(10)19-13-7-12(21-22-13)9-4-5-9;;;;;;;;;/h1,8-9,12-13,15,26H,6-7,10-11H2,2-4H3,(H,24,31)(H2,25,27,28,29,30);1,6-7,10-11,14,23H,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);1-3,6-9H,4-5H2,(H2,18,19,20,21,22);9*1H.

What are the key properties of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridin-2-ylpyrimidin-4-amine;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;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide;molecular hydrogen?

5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridin-2-ylpyrimidin-4-amine;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;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide;molecular hydrogen has a molecular weight of 1681.59 g/mol, XLogP of 14.42, 27 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridin-2-ylpyrimidin-4-amine;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;N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide;molecular hydrogen is sourced from PubChem (CID 159484907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).