N-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen

C84H106ClN31O12S8 — CID 158250914

About N-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen

N-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen (PubChem CID 158250914) has the molecular formula C84H106ClN31O12S8 and a molecular weight of 2033.97 g/mol. Its IUPAC name is N-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen.

Molecular Properties

• Compound Name: N-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen
• PubChem CID: 158250914
• Molecular Formula: C84H106ClN31O12S8
• Molecular Weight: 2033.97 g/mol
• Exact Mass: 2031.61
• IUPAC Name: N-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen
• SMILES: C#Cc1cnc(-c2ccc(S(C)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.C=CCCC(=O)c1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1.CC(C)(C)NS(=O)(=O)c1ccc(-c2ncc(NC=O)c(Nc3cc(C4CC4)[nH]n3)n2)s1.N#CCC(=O)Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.NS(=O)(=O)c1ccc(-c2ncc(NC=O)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C19H23N7O3S2.C18H17N7O3S2.C17H15N5O2S2.C15H16ClN5O.C15H15N7O3S2.10H2/c1-19(2,3)26-31(28,29)16-7-6-14(30-16)18-20-9-13(21-10-27)17(23-18)22-15-8-12(24-25-15)11-4-5-11;19-6-5-12(26)7-11-9-21-18(14-3-4-16(29-14)30(20,27)28)23-17(11)22-15-8-13(24-25-15)10-1-2-10;1-3-10-9-18-17(13-6-7-15(25-13)26(2,23)24)20-16(10)19-14-8-12(21-22-14)11-4-5-11;1-2-3-4-12(22)15-17-8-10(16)14(19-15)18-13-7-11(20-21-13)9-5-6-9;16-27(24,25)13-4-3-11(26-13)15-17-6-10(18-7-23)14(20-15)19-12-5-9(21-22-12)8-1-2-8;;;;;;;;;;/h6-11,26H,4-5H2,1-3H3,(H,21,27)(H2,20,22,23,24,25);3-4,8-10H,1-2,5,7H2,(H2,20,27,28)(H2,21,22,23,24,25);1,6-9,11H,4-5H2,2H3,(H2,18,19,20,21,22);2,7-9H,1,3-6H2,(H2,17,18,19,20,21);3-8H,1-2H2,(H,18,23)(H2,16,24,25)(H2,17,19,20,21,22);10*1H
• InChIKey: GGRYVIXXAUUOKS-UHFFFAOYSA-N
• XLogP: 16.20
• TPSA: 649.21 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 37
• Rotatable Bonds: 35
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2033.97
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen?

The IUPAC name of N-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen (CID 158250914) is N-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen.

What is the SMILES notation for N-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen?

The canonical SMILES for N-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen is C#Cc1cnc(-c2ccc(S(C)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.C=CCCC(=O)c1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1.CC(C)(C)NS(=O)(=O)c1ccc(-c2ncc(NC=O)c(Nc3cc(C4CC4)[nH]n3)n2)s1.N#CCC(=O)Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.NS(=O)(=O)c1ccc(-c2ncc(NC=O)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen?

The InChIKey is GGRYVIXXAUUOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3S2.C18H17N7O3S2.C17H15N5O2S2.C15H16ClN5O.C15H15N7O3S2.10H2/c1-19(2,3)26-31(28,29)16-7-6-14(30-16)18-20-9-13(21-10-27)17(23-18)22-15-8-12(24-25-15)11-4-5-11;19-6-5-12(26)7-11-9-21-18(14-3-4-16(29-14)30(20,27)28)23-17(11)22-15-8-13(24-25-15)10-1-2-10;1-3-10-9-18-17(13-6-7-15(25-13)26(2,23)24)20-16(10)19-14-8-12(21-22-14)11-4-5-11;1-2-3-4-12(22)15-17-8-10(16)14(19-15)18-13-7-11(20-21-13)9-5-6-9;16-27(24,25)13-4-3-11(26-13)15-17-6-10(18-7-23)14(20-15)19-12-5-9(21-22-12)8-1-2-8;;;;;;;;;;/h6-11,26H,4-5H2,1-3H3,(H,21,27)(H2,20,22,23,24,25);3-4,8-10H,1-2,5,7H2,(H2,20,27,28)(H2,21,22,23,24,25);1,6-9,11H,4-5H2,2H3,(H2,18,19,20,21,22);2,7-9H,1,3-6H2,(H2,17,18,19,20,21);3-8H,1-2H2,(H,18,23)(H2,16,24,25)(H2,17,19,20,21,22);10*1H.

What are the key properties of N-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen?

N-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen has a molecular weight of 2033.97 g/mol, XLogP of 16.20, 35 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]formamide;1-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pent-4-en-1-one;5-[5-(3-cyano-2-oxopropyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;N-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]formamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-methylsulfonylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 158250914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).