N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen

C70H89Cl3N24O10S6 — CID 158729201

About N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen

N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen (PubChem CID 158729201) has the molecular formula C70H89Cl3N24O10S6 and a molecular weight of 1725.40 g/mol. Its IUPAC name is N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen
• PubChem CID: 158729201
• Molecular Formula: C70H89Cl3N24O10S6
• Molecular Weight: 1725.40 g/mol
• Exact Mass: 1722.46
• IUPAC Name: N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen
• SMILES: C#Cc1cnc(-c2ccc(S(=O)(=O)NCCO)s2)nc1Nc1cc(C2CC2)[nH]n1.CS(=O)(=O)Nc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)cc1.CS(=O)(=O)Nc1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.O=S(=O)(c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1)N1CCOCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C18H19ClN6O3S2.C18H18N6O3S2.2C17H17ClN6O2S.9H2/c19-12-10-20-18(22-17(12)21-15-9-13(23-24-15)11-1-2-11)14-3-4-16(29-14)30(26,27)25-5-7-28-8-6-25;1-2-11-10-19-18(14-5-6-16(28-14)29(26,27)20-7-8-25)22-17(11)21-15-9-13(23-24-15)12-3-4-12;1-27(25,26)24-12-6-4-11(5-7-12)16-19-9-13(18)17(21-16)20-15-8-14(22-23-15)10-2-3-10;1-27(25,26)24-12-4-2-3-11(7-12)16-19-9-13(18)17(21-16)20-15-8-14(22-23-15)10-5-6-10;;;;;;;;;/h3-4,9-11H,1-2,5-8H2,(H2,20,21,22,23,24);1,5-6,9-10,12,20,25H,3-4,7-8H2,(H2,19,21,22,23,24);4-10,24H,2-3H2,1H3,(H2,19,20,21,22,23);2-4,7-10,24H,5-6H2,1H3,(H2,19,20,21,22,23);9*1H
• InChIKey: IKWSKSQJZNQHHX-UHFFFAOYSA-N
• XLogP: 14.26
• TPSA: 471.31 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1725.40
LogP ≤ 5	14.26
H-Bond Donors ≤ 5	12
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 N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen?

The IUPAC name of N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen (CID 158729201) is N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen.

What is the SMILES notation for N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen?

The canonical SMILES for N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen is C#Cc1cnc(-c2ccc(S(=O)(=O)NCCO)s2)nc1Nc1cc(C2CC2)[nH]n1.CS(=O)(=O)Nc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)cc1.CS(=O)(=O)Nc1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.O=S(=O)(c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1)N1CCOCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen?

The InChIKey is IKWSKSQJZNQHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O3S2.C18H18N6O3S2.2C17H17ClN6O2S.9H2/c19-12-10-20-18(22-17(12)21-15-9-13(23-24-15)11-1-2-11)14-3-4-16(29-14)30(26,27)25-5-7-28-8-6-25;1-2-11-10-19-18(14-5-6-16(28-14)29(26,27)20-7-8-25)22-17(11)21-15-9-13(23-24-15)12-3-4-12;1-27(25,26)24-12-6-4-11(5-7-12)16-19-9-13(18)17(21-16)20-15-8-14(22-23-15)10-2-3-10;1-27(25,26)24-12-4-2-3-11(7-12)16-19-9-13(18)17(21-16)20-15-8-14(22-23-15)10-5-6-10;;;;;;;;;/h3-4,9-11H,1-2,5-8H2,(H2,20,21,22,23,24);1,5-6,9-10,12,20,25H,3-4,7-8H2,(H2,19,21,22,23,24);4-10,24H,2-3H2,1H3,(H2,19,20,21,22,23);2-4,7-10,24H,5-6H2,1H3,(H2,19,20,21,22,23);9*1H.

What are the key properties of N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen?

N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen has a molecular weight of 1725.40 g/mol, XLogP of 14.26, 26 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen is sourced from PubChem (CID 158729201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).