N-(2-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen

C74H103N25O9S7 — CID 158201842

About N-(2-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen

N-(2-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen (PubChem CID 158201842) has the molecular formula C74H103N25O9S7 and a molecular weight of 1711.27 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-(2-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
• PubChem CID: 158201842
• Molecular Formula: C74H103N25O9S7
• Molecular Weight: 1711.27 g/mol
• Exact Mass: 1709.64
• IUPAC Name: N-(2-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
• SMILES: C#Cc1cnc(-c2ccc(C(=O)NCCNC(C)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.C/C=C\c1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.C=Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.CC(O)c1cnc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)nc1Nc1cc(C2CC2)[nH]n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C21H21N7O2S.C20H26N6O3S2.C17H18N6O2S2.C16H16N6O2S2.11H2/c1-3-13-11-24-20(26-19(13)25-18-10-15(27-28-18)14-4-5-14)16-6-7-17(31-16)21(30)23-9-8-22-12(2)29;1-11(27)13-10-21-19(15-7-8-17(30-15)31(28,29)26-20(2,3)4)23-18(13)22-16-9-14(24-25-16)12-5-6-12;1-2-3-11-9-19-17(13-6-7-15(26-13)27(18,24)25)21-16(11)20-14-8-12(22-23-14)10-4-5-10;1-2-9-8-18-16(12-5-6-14(25-12)26(17,23)24)20-15(9)19-13-7-11(21-22-13)10-3-4-10;;;;;;;;;;;/h1,6-7,10-11,14H,4-5,8-9H2,2H3,(H,22,29)(H,23,30)(H2,24,25,26,27,28);7-12,26-27H,5-6H2,1-4H3,(H2,21,22,23,24,25);2-3,6-10H,4-5H2,1H3,(H2,18,24,25)(H2,19,20,21,22,23);2,5-8,10H,1,3-4H2,(H2,17,23,24)(H2,18,19,20,21,22);11*1H/b;;3-2-
• InChIKey: GBANTISQOCFJHK-QTNHJZSRSA-N
• XLogP: 14.85
• TPSA: 510.88 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1711.27
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	29

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 N-(2-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?

The IUPAC name of N-(2-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen (CID 158201842) is N-(2-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen.

What is the SMILES notation for N-(2-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?

The canonical SMILES for N-(2-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen is C#Cc1cnc(-c2ccc(C(=O)NCCNC(C)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.C/C=C\c1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.C=Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.CC(O)c1cnc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)nc1Nc1cc(C2CC2)[nH]n1.[H][H].[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-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?

The InChIKey is GBANTISQOCFJHK-QTNHJZSRSA-N. The full InChI is InChI=1S/C21H21N7O2S.C20H26N6O3S2.C17H18N6O2S2.C16H16N6O2S2.11H2/c1-3-13-11-24-20(26-19(13)25-18-10-15(27-28-18)14-4-5-14)16-6-7-17(31-16)21(30)23-9-8-22-12(2)29;1-11(27)13-10-21-19(15-7-8-17(30-15)31(28,29)26-20(2,3)4)23-18(13)22-16-9-14(24-25-16)12-5-6-12;1-2-3-11-9-19-17(13-6-7-15(26-13)27(18,24)25)21-16(11)20-14-8-12(22-23-14)10-4-5-10;1-2-9-8-18-16(12-5-6-14(25-12)26(17,23)24)20-15(9)19-13-7-11(21-22-13)10-3-4-10;;;;;;;;;;;/h1,6-7,10-11,14H,4-5,8-9H2,2H3,(H,22,29)(H,23,30)(H2,24,25,26,27,28);7-12,26-27H,5-6H2,1-4H3,(H2,21,22,23,24,25);2-3,6-10H,4-5H2,1H3,(H2,18,24,25)(H2,19,20,21,22,23);2,5-8,10H,1,3-4H2,(H2,17,23,24)(H2,18,19,20,21,22);11*1H/b;;3-2-;;;;;;;;;;;;.

What are the key properties of N-(2-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?

N-(2-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen has a molecular weight of 1711.27 g/mol, XLogP of 14.85, 27 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetamidoethyl)-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(1-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen is sourced from PubChem (CID 158201842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).