5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen

C69H77Cl3N24O4S6 — CID 157164958

About 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen

5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen (PubChem CID 157164958) has the molecular formula C69H77Cl3N24O4S6 and a molecular weight of 1605.30 g/mol. Its IUPAC name is 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen.

Molecular Properties

• Compound Name: 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen
• PubChem CID: 157164958
• Molecular Formula: C69H77Cl3N24O4S6
• Molecular Weight: 1605.30 g/mol
• Exact Mass: 1602.39
• IUPAC Name: 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen
• SMILES: C#Cc1cnc(-c2ccc(C(C)(C)C#N)s2)nc1Nc1cc(C2CC2)[nH]n1.CC(C)(C#N)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.CC(C)(C)c1cc(Nc2nc(-c3ccc(S(N)(=O)=O)s3)ncc2Cl)n[nH]1.NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CCCC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C20H18N6S.C18H17ClN6S.C16H17ClN6O2S2.C15H17ClN6O2S2.4H2/c1-4-12-10-22-19(15-7-8-16(27-15)20(2,3)11-21)24-18(12)23-17-9-14(25-26-17)13-5-6-13;1-18(2,9-20)14-6-5-13(26-14)17-21-8-11(19)16(23-17)22-15-7-12(24-25-15)10-3-4-10;17-10-8-19-16(12-5-6-14(26-12)27(18,24)25)21-15(10)20-13-7-11(22-23-13)9-3-1-2-4-9;1-15(2,3)10-6-11(22-21-10)19-13-8(16)7-18-14(20-13)9-4-5-12(25-9)26(17,23)24;;;;/h1,7-10,13H,5-6H2,2-3H3,(H2,22,23,24,25,26);5-8,10H,3-4H2,1-2H3,(H2,21,22,23,24,25);5-9H,1-4H2,(H2,18,24,25)(H2,19,20,21,22,23);4-7H,1-3H3,(H2,17,23,24)(H2,18,19,20,21,22);4*1H
• InChIKey: AMUKDHBZDVYENN-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 433.86 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1605.30
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen?

The IUPAC name of 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen (CID 157164958) is 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen.

What is the SMILES notation for 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen?

The canonical SMILES for 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen is C#Cc1cnc(-c2ccc(C(C)(C)C#N)s2)nc1Nc1cc(C2CC2)[nH]n1.CC(C)(C#N)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.CC(C)(C)c1cc(Nc2nc(-c3ccc(S(N)(=O)=O)s3)ncc2Cl)n[nH]1.NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CCCC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen?

The InChIKey is AMUKDHBZDVYENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6S.C18H17ClN6S.C16H17ClN6O2S2.C15H17ClN6O2S2.4H2/c1-4-12-10-22-19(15-7-8-16(27-15)20(2,3)11-21)24-18(12)23-17-9-14(25-26-17)13-5-6-13;1-18(2,9-20)14-6-5-13(26-14)17-21-8-11(19)16(23-17)22-15-7-12(24-25-15)10-3-4-10;17-10-8-19-16(12-5-6-14(26-12)27(18,24)25)21-15(10)20-13-7-11(22-23-13)9-3-1-2-4-9;1-15(2,3)10-6-11(22-21-10)19-13-8(16)7-18-14(20-13)9-4-5-12(25-9)26(17,23)24;;;;/h1,7-10,13H,5-6H2,2-3H3,(H2,22,23,24,25,26);5-8,10H,3-4H2,1-2H3,(H2,21,22,23,24,25);5-9H,1-4H2,(H2,18,24,25)(H2,19,20,21,22,23);4-7H,1-3H3,(H2,17,23,24)(H2,18,19,20,21,22);4*1H.

What are the key properties of 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen?

5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen has a molecular weight of 1605.30 g/mol, XLogP of 17.22, 19 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen is sourced from PubChem (CID 157164958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).