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;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]butan-1-ol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen

C76H102N22O7S6 — CID 160853184

About 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;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]butan-1-ol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen

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;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]butan-1-ol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen (PubChem CID 160853184) has the molecular formula C76H102N22O7S6 and a molecular weight of 1628.20 g/mol. Its IUPAC name is 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;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]butan-1-ol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen.

Molecular Properties

• Compound Name: 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;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]butan-1-ol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen
• PubChem CID: 160853184
• Molecular Formula: C76H102N22O7S6
• Molecular Weight: 1628.20 g/mol
• Exact Mass: 1626.66
• IUPAC Name: 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;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]butan-1-ol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen
• SMILES: C#Cc1cnc(-c2ccc([C@@H](O)C(C)C)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(-c2ccc([C@@H](O)CCC)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]
• InChI: InChI=1S/C20H26N6O3S2.2C20H21N5OS.C16H16N6O2S2.9H2/c1-11(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;1-4-12-10-21-20(16-8-7-15(27-16)18(26)11(2)3)23-19(12)22-17-9-14(24-25-17)13-5-6-13;1-3-5-15(26)16-8-9-17(27-16)20-21-11-12(4-2)19(23-20)22-18-10-14(24-25-18)13-6-7-13;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;;;;;;;;;/h7-12,26-27H,5-6H2,1-4H3,(H2,21,22,23,24,25);1,7-11,13,18,26H,5-6H2,2-3H3,(H2,21,22,23,24,25);2,8-11,13,15,26H,3,5-7H2,1H3,(H2,21,22,23,24,25);2,5-8,10H,1,3-4H2,(H2,17,23,24)(H2,18,19,20,21,22);9*1H/t;18-;15-;;;;;;;;;;/m.00........../s1
• InChIKey: SJNJVILJWQIYKD-IIAOJPFQSA-N
• XLogP: 17.32
• TPSA: 432.98 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1628.20
LogP ≤ 5	17.32
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]butan-1-ol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen?

The IUPAC name of 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;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]butan-1-ol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen (CID 160853184) is 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;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]butan-1-ol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen.

What is the SMILES notation for 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;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]butan-1-ol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen?

The canonical SMILES for 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;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]butan-1-ol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen is C#Cc1cnc(-c2ccc([C@@H](O)C(C)C)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(-c2ccc([C@@H](O)CCC)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].

What is the InChIKey of 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;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]butan-1-ol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen?

The InChIKey is SJNJVILJWQIYKD-IIAOJPFQSA-N. The full InChI is InChI=1S/C20H26N6O3S2.2C20H21N5OS.C16H16N6O2S2.9H2/c1-11(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;1-4-12-10-21-20(16-8-7-15(27-16)18(26)11(2)3)23-19(12)22-17-9-14(24-25-17)13-5-6-13;1-3-5-15(26)16-8-9-17(27-16)20-21-11-12(4-2)19(23-20)22-18-10-14(24-25-18)13-6-7-13;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;;;;;;;;;/h7-12,26-27H,5-6H2,1-4H3,(H2,21,22,23,24,25);1,7-11,13,18,26H,5-6H2,2-3H3,(H2,21,22,23,24,25);2,8-11,13,15,26H,3,5-7H2,1H3,(H2,21,22,23,24,25);2,5-8,10H,1,3-4H2,(H2,17,23,24)(H2,18,19,20,21,22);9*1H/t;18-;15-;;;;;;;;;;/m.00........../s1.

What are the key properties of 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;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]butan-1-ol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen?

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;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]butan-1-ol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen has a molecular weight of 1628.20 g/mol, XLogP of 17.32, 26 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 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;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]butan-1-ol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen is sourced from PubChem (CID 160853184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).