1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea

C87H86F2N20O19S4 — CID 160992192

About 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea

1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea (PubChem CID 160992192) has the molecular formula C87H86F2N20O19S4 and a molecular weight of 1888.07 g/mol. Its IUPAC name is 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea.

Molecular Properties

• Compound Name: 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
• PubChem CID: 160992192
• Molecular Formula: C87H86F2N20O19S4
• Molecular Weight: 1888.07 g/mol
• Exact Mass: 1886.56
• IUPAC Name: 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
• SMILES: O=C(Nc1c(-c2ccnc(OC(F)F)c2)ccc2c1CCO2)NS(=O)(=O)c1ccn(C2CC2)n1.O=C(Nc1c(-c2ccnc(OC3CC3)c2)ccc2c1CCO2)NS(=O)(=O)c1ccn(C2CC2)n1.[2H]C([2H])([2H])Oc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.[2H]C([2H])([2H])Oc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCO3)ccn1
• InChI: InChI=1S/C23H23N5O5S.C22H23N5O4S.C21H19F2N5O5S.C21H21N5O5S/c29-23(27-34(30,31)21-8-11-28(26-21)15-1-2-15)25-22-17(5-6-19-18(22)9-12-32-19)14-7-10-24-20(13-14)33-16-3-4-16;1-31-19-13-15(9-11-23-19)18-8-5-14-3-2-4-17(14)21(18)24-22(28)26-32(29,30)20-10-12-27(25-20)16-6-7-16;22-20(23)33-17-11-12(5-8-24-17)14-3-4-16-15(7-10-32-16)19(14)25-21(29)27-34(30,31)18-6-9-28(26-18)13-1-2-13;1-30-18-12-13(6-9-22-18)15-4-5-17-16(8-11-31-17)20(15)23-21(27)25-32(28,29)19-7-10-26(24-19)14-2-3-14/h5-8,10-11,13,15-16H,1-4,9,12H2,(H2,25,27,29);5,8-13,16H,2-4,6-7H2,1H3,(H2,24,26,28);3-6,8-9,11,13,20H,1-2,7,10H2,(H2,25,27,29);4-7,9-10,12,14H,2-3,8,11H2,1H3,(H2,23,25,27)/i;1D3;;1D3
• InChIKey: TUTWGUDNDGCORO-PKKORARESA-N
• XLogP: 12.61
• TPSA: 488.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1888.07
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

The IUPAC name of 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea (CID 160992192) is 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea.

What is the SMILES notation for 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

The canonical SMILES for 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea is O=C(Nc1c(-c2ccnc(OC(F)F)c2)ccc2c1CCO2)NS(=O)(=O)c1ccn(C2CC2)n1.O=C(Nc1c(-c2ccnc(OC3CC3)c2)ccc2c1CCO2)NS(=O)(=O)c1ccn(C2CC2)n1.[2H]C([2H])([2H])Oc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.[2H]C([2H])([2H])Oc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCO3)ccn1.

What is the InChIKey of 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

The InChIKey is TUTWGUDNDGCORO-PKKORARESA-N. The full InChI is InChI=1S/C23H23N5O5S.C22H23N5O4S.C21H19F2N5O5S.C21H21N5O5S/c29-23(27-34(30,31)21-8-11-28(26-21)15-1-2-15)25-22-17(5-6-19-18(22)9-12-32-19)14-7-10-24-20(13-14)33-16-3-4-16;1-31-19-13-15(9-11-23-19)18-8-5-14-3-2-4-17(14)21(18)24-22(28)26-32(29,30)20-10-12-27(25-20)16-6-7-16;22-20(23)33-17-11-12(5-8-24-17)14-3-4-16-15(7-10-32-16)19(14)25-21(29)27-34(30,31)18-6-9-28(26-18)13-1-2-13;1-30-18-12-13(6-9-22-18)15-4-5-17-16(8-11-31-17)20(15)23-21(27)25-32(28,29)19-7-10-26(24-19)14-2-3-14/h5-8,10-11,13,15-16H,1-4,9,12H2,(H2,25,27,29);5,8-13,16H,2-4,6-7H2,1H3,(H2,24,26,28);3-6,8-9,11,13,20H,1-2,7,10H2,(H2,25,27,29);4-7,9-10,12,14H,2-3,8,11H2,1H3,(H2,23,25,27)/i;1D3;;1D3.

What are the key properties of 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea has a molecular weight of 1888.07 g/mol, XLogP of 12.61, 28 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea is sourced from PubChem (CID 160992192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).