N-tert-butyl-5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxan-4-yl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen

C71H95ClFN23O8S7 — CID 161071514

About N-tert-butyl-5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxan-4-yl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen

N-tert-butyl-5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxan-4-yl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen (PubChem CID 161071514) has the molecular formula C71H95ClFN23O8S7 and a molecular weight of 1677.61 g/mol. Its IUPAC name is N-tert-butyl-5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxan-4-yl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen.

Molecular Properties

• Compound Name: N-tert-butyl-5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxan-4-yl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen
• PubChem CID: 161071514
• Molecular Formula: C71H95ClFN23O8S7
• Molecular Weight: 1677.61 g/mol
• Exact Mass: 1675.55
• IUPAC Name: N-tert-butyl-5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxan-4-yl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen
• SMILES: C[C@H](O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.Cc1cnc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)nc1Nc1cc(C2CC2)n(C)n1.Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)n(C)n1.O=S(=O)(NC1CCOCC1)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C20H26N6O2S2.C19H21ClN6O3S2.C16H16FN5OS.C16H18N6O2S2.7H2/c1-12-11-21-19(15-8-9-17(29-15)30(27,28)25-20(2,3)4)23-18(12)22-16-10-14(13-6-7-13)26(5)24-16;20-13-10-21-19(23-18(13)22-16-9-14(24-25-16)11-1-2-11)15-3-4-17(30-15)31(27,28)26-12-5-7-29-8-6-12;1-8(23)12-4-5-13(24-12)16-18-7-10(17)15(20-16)19-14-6-11(21-22-14)9-2-3-9;1-9-8-18-16(12-5-6-14(25-12)26(17,23)24)20-15(9)19-13-7-11(10-3-4-10)22(2)21-13;;;;;;;/h8-11,13,25H,6-7H2,1-5H3,(H,21,22,23,24);3-4,9-12,26H,1-2,5-8H2,(H2,21,22,23,24,25);4-9,23H,2-3H2,1H3,(H2,18,19,20,21,22);5-8,10H,3-4H2,1-2H3,(H2,17,23,24)(H,18,19,20,21);7*1H/t;;8-;;;;;;;;/m..0......../s1
• InChIKey: UESMBJSMRKBAOZ-LGFHWEOTSA-N
• XLogP: 15.58
• TPSA: 426.20 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1677.61
LogP ≤ 5	15.58
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxan-4-yl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen?

The IUPAC name of N-tert-butyl-5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxan-4-yl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen (CID 161071514) is N-tert-butyl-5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxan-4-yl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen.

What is the SMILES notation for N-tert-butyl-5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxan-4-yl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen?

The canonical SMILES for N-tert-butyl-5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxan-4-yl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen is C[C@H](O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.Cc1cnc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)nc1Nc1cc(C2CC2)n(C)n1.Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)n(C)n1.O=S(=O)(NC1CCOCC1)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[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-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxan-4-yl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen?

The InChIKey is UESMBJSMRKBAOZ-LGFHWEOTSA-N. The full InChI is InChI=1S/C20H26N6O2S2.C19H21ClN6O3S2.C16H16FN5OS.C16H18N6O2S2.7H2/c1-12-11-21-19(15-8-9-17(29-15)30(27,28)25-20(2,3)4)23-18(12)22-16-10-14(13-6-7-13)26(5)24-16;20-13-10-21-19(23-18(13)22-16-9-14(24-25-16)11-1-2-11)15-3-4-17(30-15)31(27,28)26-12-5-7-29-8-6-12;1-8(23)12-4-5-13(24-12)16-18-7-10(17)15(20-16)19-14-6-11(21-22-14)9-2-3-9;1-9-8-18-16(12-5-6-14(25-12)26(17,23)24)20-15(9)19-13-7-11(10-3-4-10)22(2)21-13;;;;;;;/h8-11,13,25H,6-7H2,1-5H3,(H,21,22,23,24);3-4,9-12,26H,1-2,5-8H2,(H2,21,22,23,24,25);4-9,23H,2-3H2,1H3,(H2,18,19,20,21,22);5-8,10H,3-4H2,1-2H3,(H2,17,23,24)(H,18,19,20,21);7*1H/t;;8-;;;;;;;;/m..0......../s1.

What are the key properties of N-tert-butyl-5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxan-4-yl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen?

N-tert-butyl-5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxan-4-yl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen has a molecular weight of 1677.61 g/mol, XLogP of 15.58, 23 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(oxan-4-yl)thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol;molecular hydrogen is sourced from PubChem (CID 161071514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).