2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen

C64H59Cl3F3N23O6S5 — CID 157056951

About 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen

2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen (PubChem CID 157056951) has the molecular formula C64H59Cl3F3N23O6S5 and a molecular weight of 1570.02 g/mol. Its IUPAC name is 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen
• PubChem CID: 157056951
• Molecular Formula: C64H59Cl3F3N23O6S5
• Molecular Weight: 1570.02 g/mol
• Exact Mass: 1567.26
• IUPAC Name: 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen
• SMILES: C#Cc1cnc(-c2ccc(C#N)s2)nc1Nc1cc(C2CC2)[nH]n1.NS(=O)(=O)c1ccccc1-c1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1.O=C(O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=S(=O)(NCC(F)(F)F)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C17H12N6S.C16H14ClF3N6O2S2.C16H15ClN6O2S.C15H12ClN5O2S.3H2/c1-2-10-9-19-17(14-6-5-12(8-18)24-14)21-16(10)20-15-7-13(22-23-15)11-3-4-11;17-9-6-21-15(24-14(9)23-12-5-10(25-26-12)8-1-2-8)11-3-4-13(29-11)30(27,28)22-7-16(18,19)20;17-11-8-19-15(10-3-1-2-4-13(10)26(18,24)25)21-16(11)20-14-7-12(22-23-14)9-5-6-9;16-8-6-17-14(10-3-4-11(24-10)15(22)23)19-13(8)18-12-5-9(20-21-12)7-1-2-7;;;/h1,5-7,9,11H,3-4H2,(H2,19,20,21,22,23);3-6,8,22H,1-2,7H2,(H2,21,23,24,25,26);1-4,7-9H,5-6H2,(H2,18,24,25)(H2,19,20,21,22,23);3-7H,1-2H2,(H,22,23)(H2,17,18,19,20,21);3*1H
• InChIKey: AAWGYMYVGTUNOU-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 433.38 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1570.02
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen?

The IUPAC name of 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen (CID 157056951) is 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen.

What is the SMILES notation for 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen?

The canonical SMILES for 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen is C#Cc1cnc(-c2ccc(C#N)s2)nc1Nc1cc(C2CC2)[nH]n1.NS(=O)(=O)c1ccccc1-c1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1.O=C(O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=S(=O)(NCC(F)(F)F)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].

What is the InChIKey of 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen?

The InChIKey is AAWGYMYVGTUNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6S.C16H14ClF3N6O2S2.C16H15ClN6O2S.C15H12ClN5O2S.3H2/c1-2-10-9-19-17(14-6-5-12(8-18)24-14)21-16(10)20-15-7-13(22-23-15)11-3-4-11;17-9-6-21-15(24-14(9)23-12-5-10(25-26-12)8-1-2-8)11-3-4-13(29-11)30(27,28)22-7-16(18,19)20;17-11-8-19-15(10-3-1-2-4-13(10)26(18,24)25)21-16(11)20-14-7-12(22-23-14)9-5-6-9;16-8-6-17-14(10-3-4-11(24-10)15(22)23)19-13(8)18-12-5-9(20-21-12)7-1-2-7;;;/h1,5-7,9,11H,3-4H2,(H2,19,20,21,22,23);3-6,8,22H,1-2,7H2,(H2,21,23,24,25,26);1-4,7-9H,5-6H2,(H2,18,24,25)(H2,19,20,21,22,23);3-7H,1-2H2,(H,22,23)(H2,17,18,19,20,21);3*1H.

What are the key properties of 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen?

2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen has a molecular weight of 1570.02 g/mol, XLogP of 14.87, 21 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen is sourced from PubChem (CID 157056951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).