5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxolan-3-yl)thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;methyl 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylate;methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;molecular hydrogen

C71H71Cl2N21O9S5 — CID 161003041

About 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxolan-3-yl)thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;methyl 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylate;methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;molecular hydrogen

5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxolan-3-yl)thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;methyl 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylate;methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;molecular hydrogen (PubChem CID 161003041) has the molecular formula C71H71Cl2N21O9S5 and a molecular weight of 1593.73 g/mol. Its IUPAC name is 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxolan-3-yl)thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;methyl 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylate;methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;molecular hydrogen.

Molecular Properties

• Compound Name: 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxolan-3-yl)thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;methyl 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylate;methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;molecular hydrogen
• PubChem CID: 161003041
• Molecular Formula: C71H71Cl2N21O9S5
• Molecular Weight: 1593.73 g/mol
• Exact Mass: 1591.37
• IUPAC Name: 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxolan-3-yl)thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;methyl 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylate;methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;molecular hydrogen
• SMILES: C#Cc1cnc(-c2ccc(C(=O)OC)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(-c2ccc(S(C)(=O)=O)cc2)nc1Nc1cc(C2CC2)[nH]n1.COC(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=S(=O)(NC1CCOC1)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C19H17N5O2S.C18H19ClN6O3S2.C18H15N5O2S.C16H14ClN5O2S.3H2/c1-3-12-11-20-18(14-6-8-15(9-7-14)27(2,25)26)22-19(12)21-17-10-16(23-24-17)13-4-5-13;19-12-8-20-18(22-17(12)21-15-7-13(23-24-15)10-1-2-10)14-3-4-16(29-14)30(26,27)25-11-5-6-28-9-11;1-3-10-9-19-17(13-6-7-14(26-13)18(24)25-2)21-16(10)20-15-8-12(22-23-15)11-4-5-11;1-24-16(23)12-5-4-11(25-12)15-18-7-9(17)14(20-15)19-13-6-10(21-22-13)8-2-3-8;;;/h1,6-11,13H,4-5H2,2H3,(H2,20,21,22,23,24);3-4,7-8,10-11,25H,1-2,5-6,9H2,(H2,20,21,22,23,24);1,6-9,11H,4-5H2,2H3,(H2,19,20,21,22,23);4-8H,2-3H2,1H3,(H2,18,19,20,21,22);3*1H
• InChIKey: TWDFUCXVIFQFTL-UHFFFAOYSA-N
• XLogP: 14.19
• TPSA: 408.10 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1593.73
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxolan-3-yl)thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;methyl 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylate;methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;molecular hydrogen?

The IUPAC name of 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxolan-3-yl)thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;methyl 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylate;methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;molecular hydrogen (CID 161003041) is 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxolan-3-yl)thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;methyl 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylate;methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;molecular hydrogen.

What is the SMILES notation for 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxolan-3-yl)thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;methyl 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylate;methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;molecular hydrogen?

The canonical SMILES for 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxolan-3-yl)thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;methyl 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylate;methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;molecular hydrogen is C#Cc1cnc(-c2ccc(C(=O)OC)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(-c2ccc(S(C)(=O)=O)cc2)nc1Nc1cc(C2CC2)[nH]n1.COC(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=S(=O)(NC1CCOC1)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].

What is the InChIKey of 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxolan-3-yl)thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;methyl 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylate;methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;molecular hydrogen?

The InChIKey is TWDFUCXVIFQFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S.C18H19ClN6O3S2.C18H15N5O2S.C16H14ClN5O2S.3H2/c1-3-12-11-20-18(14-6-8-15(9-7-14)27(2,25)26)22-19(12)21-17-10-16(23-24-17)13-4-5-13;19-12-8-20-18(22-17(12)21-15-7-13(23-24-15)10-1-2-10)14-3-4-16(29-14)30(26,27)25-11-5-6-28-9-11;1-3-10-9-19-17(13-6-7-14(26-13)18(24)25-2)21-16(10)20-15-8-12(22-23-15)11-4-5-11;1-24-16(23)12-5-4-11(25-12)15-18-7-9(17)14(20-15)19-13-6-10(21-22-13)8-2-3-8;;;/h1,6-11,13H,4-5H2,2H3,(H2,20,21,22,23,24);3-4,7-8,10-11,25H,1-2,5-6,9H2,(H2,20,21,22,23,24);1,6-9,11H,4-5H2,2H3,(H2,19,20,21,22,23);4-8H,2-3H2,1H3,(H2,18,19,20,21,22);3*1H.

What are the key properties of 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxolan-3-yl)thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;methyl 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylate;methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;molecular hydrogen?

5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxolan-3-yl)thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;methyl 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylate;methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;molecular hydrogen has a molecular weight of 1593.73 g/mol, XLogP of 14.19, 22 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxolan-3-yl)thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;methyl 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylate;methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;molecular hydrogen is sourced from PubChem (CID 161003041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).