1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;(1-methylpyrrolidin-3-yl) N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate

C₁₁₆H₁₃₀FN₂₃O₂₃S₅ — CID 158616021

About 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;(1-methylpyrrolidin-3-yl) N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate

1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;(1-methylpyrrolidin-3-yl) N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate (PubChem CID 158616021) has the molecular formula C₁₁₆H₁₃₀FN₂₃O₂₃S₅ and a molecular weight of 2396.81 g/mol. Its IUPAC name is 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;(1-methylpyrrolidin-3-yl) N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate.

Molecular Properties

• Compound Name: 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;(1-methylpyrrolidin-3-yl) N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate
• PubChem CID: 158616021
• Molecular Formula: C₁₁₆H₁₃₀FN₂₃O₂₃S₅
• Molecular Weight: 2396.81 g/mol
• Exact Mass: 2394.85
• IUPAC Name: 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;(1-methylpyrrolidin-3-yl) N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate
• SMILES: CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc4c3CCO4)ccc3c2CCC3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)OC2CCN(C)C2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccc(C(C)C)c(CN(C)C)c2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CCC4)n2)CCO3)c(F)cn1.[2H]C([2H])([2H])Oc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CCC4)n2)CCO3)ccn1
• InChI: InChI=1S/C28H34N4O4S.C23H25N5O4S.C22H22FN5O5S.C22H23N5O5S.C21H26N4O5S/c1-18(2)23-12-10-22(15-21(23)17-32(3)4)37(34,35)31-28(33)30-27-24-8-6-7-19(24)9-11-25(27)20-13-14-29-26(16-20)36-5;1-14(2)28-12-9-20(26-28)33(30,31)27-23(29)25-21-16-5-3-4-15(16)6-7-18(21)17-8-11-24-22-19(17)10-13-32-22;1-32-19-11-16(17(23)12-24-19)14-5-6-18-15(8-10-33-18)21(14)25-22(29)27-34(30,31)20-7-9-28(26-20)13-3-2-4-13;1-31-19-13-14(7-10-23-19)16-5-6-18-17(9-12-32-18)21(16)24-22(28)26-33(29,30)20-8-11-27(25-20)15-3-2-4-15;1-25-11-9-16(13-25)30-31(27,28)24-21(26)23-20-17-5-3-4-14(17)6-7-18(20)15-8-10-22-19(12-15)29-2/h9-16,18H,6-8,17H2,1-5H3,(H2,30,31,33);6-9,11-12,14H,3-5,10,13H2,1-2H3,(H2,25,27,29);5-7,9,11-13H,2-4,8,10H2,1H3,(H2,25,27,29);5-8,10-11,13,15H,2-4,9,12H2,1H3,(H2,24,26,28);6-8,10,12,16H,3-5,9,11,13H2,1-2H3,(H2,23,24,26)/i;;;1D3
• InChIKey: HXJYIHNWCUZSPZ-GSAFMDPUSA-N
• XLogP: 17.12
• TPSA: 574.58 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2396.81
LogP ≤ 5	17.12
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;(1-methylpyrrolidin-3-yl) N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate?

The IUPAC name of 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;(1-methylpyrrolidin-3-yl) N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate (CID 158616021) is 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;(1-methylpyrrolidin-3-yl) N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate.

What is the SMILES notation for 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;(1-methylpyrrolidin-3-yl) N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate?

The canonical SMILES for 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;(1-methylpyrrolidin-3-yl) N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate is CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc4c3CCO4)ccc3c2CCC3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)OC2CCN(C)C2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccc(C(C)C)c(CN(C)C)c2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CCC4)n2)CCO3)c(F)cn1.[2H]C([2H])([2H])Oc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CCC4)n2)CCO3)ccn1.

What is the InChIKey of 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;(1-methylpyrrolidin-3-yl) N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate?

The InChIKey is HXJYIHNWCUZSPZ-GSAFMDPUSA-N. The full InChI is InChI=1S/C28H34N4O4S.C23H25N5O4S.C22H22FN5O5S.C22H23N5O5S.C21H26N4O5S/c1-18(2)23-12-10-22(15-21(23)17-32(3)4)37(34,35)31-28(33)30-27-24-8-6-7-19(24)9-11-25(27)20-13-14-29-26(16-20)36-5;1-14(2)28-12-9-20(26-28)33(30,31)27-23(29)25-21-16-5-3-4-15(16)6-7-18(21)17-8-11-24-22-19(17)10-13-32-22;1-32-19-11-16(17(23)12-24-19)14-5-6-18-15(8-10-33-18)21(14)25-22(29)27-34(30,31)20-7-9-28(26-20)13-3-2-4-13;1-31-19-13-14(7-10-23-19)16-5-6-18-17(9-12-32-18)21(16)24-22(28)26-33(29,30)20-8-11-27(25-20)15-3-2-4-15;1-25-11-9-16(13-25)30-31(27,28)24-21(26)23-20-17-5-3-4-14(17)6-7-18(20)15-8-10-22-19(12-15)29-2/h9-16,18H,6-8,17H2,1-5H3,(H2,30,31,33);6-9,11-12,14H,3-5,10,13H2,1-2H3,(H2,25,27,29);5-7,9,11-13H,2-4,8,10H2,1H3,(H2,25,27,29);5-8,10-11,13,15H,2-4,9,12H2,1H3,(H2,24,26,28);6-8,10,12,16H,3-5,9,11,13H2,1-2H3,(H2,23,24,26)/i;;;1D3;.

What are the key properties of 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;(1-methylpyrrolidin-3-yl) N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate?

1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;(1-methylpyrrolidin-3-yl) N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate has a molecular weight of 2396.81 g/mol, XLogP of 17.12, 32 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;(1-methylpyrrolidin-3-yl) N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate is sourced from PubChem (CID 158616021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158616021 — identifiers, structure, computed properties (public domain)

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