1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(methylamino)propan-2-yl]pyrazol-3-yl]sulfonylurea

C94H104F2N24O19S4 — CID 159870998

About 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(methylamino)propan-2-yl]pyrazol-3-yl]sulfonylurea

1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(methylamino)propan-2-yl]pyrazol-3-yl]sulfonylurea (PubChem CID 159870998) has the molecular formula C94H104F2N24O19S4 and a molecular weight of 2040.28 g/mol. Its IUPAC name is 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(methylamino)propan-2-yl]pyrazol-3-yl]sulfonylurea.

Molecular Properties

• Compound Name: 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(methylamino)propan-2-yl]pyrazol-3-yl]sulfonylurea
• PubChem CID: 159870998
• Molecular Formula: C94H104F2N24O19S4
• Molecular Weight: 2040.28 g/mol
• Exact Mass: 2038.68
• IUPAC Name: 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(methylamino)propan-2-yl]pyrazol-3-yl]sulfonylurea
• SMILES: CN(C)CC(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC4CC4)c3)ccc3c2CCO3)n1.CNCC(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC)c3)ccc3c2CCC3)n1.[C-]#[N+]C(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC(F)F)c3)ccc3c2CCO3)n1.[C-]#[N+]C(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC)c3)ccc3c2CCO3)n1
• InChI: InChI=1S/C26H32N6O5S.C24H30N6O4S.C22H20F2N6O5S.C22H22N6O5S/c1-26(2,16-31(3)4)32-13-10-23(29-32)38(34,35)30-25(33)28-24-19(7-8-21-20(24)11-14-36-21)17-9-12-27-22(15-17)37-18-5-6-18;1-24(2,15-25-3)30-13-11-21(28-30)35(32,33)29-23(31)27-22-18-7-5-6-16(18)8-9-19(22)17-10-12-26-20(14-17)34-4;1-22(2,25-3)30-10-7-18(28-30)36(32,33)29-21(31)27-19-14(4-5-16-15(19)8-11-34-16)13-6-9-26-17(12-13)35-20(23)24;1-22(2,23-3)28-11-8-19(26-28)34(30,31)27-21(29)25-20-15(5-6-17-16(20)9-12-33-17)14-7-10-24-18(13-14)32-4/h7-10,12-13,15,18H,5-6,11,14,16H2,1-4H3,(H2,28,30,33);8-14,25H,5-7,15H2,1-4H3,(H2,27,29,31);4-7,9-10,12,20H,8,11H2,1-2H3,(H2,27,29,31);5-8,10-11,13H,9,12H2,1-2,4H3,(H2,25,27,29)
• InChIKey: NSIMLTCBIQWNAN-UHFFFAOYSA-N
• XLogP: 12.75
• TPSA: 512.52 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2040.28
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(methylamino)propan-2-yl]pyrazol-3-yl]sulfonylurea?

The IUPAC name of 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(methylamino)propan-2-yl]pyrazol-3-yl]sulfonylurea (CID 159870998) is 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(methylamino)propan-2-yl]pyrazol-3-yl]sulfonylurea.

What is the SMILES notation for 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(methylamino)propan-2-yl]pyrazol-3-yl]sulfonylurea?

The canonical SMILES for 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(methylamino)propan-2-yl]pyrazol-3-yl]sulfonylurea is CN(C)CC(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC4CC4)c3)ccc3c2CCO3)n1.CNCC(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC)c3)ccc3c2CCC3)n1.[C-]#[N+]C(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC(F)F)c3)ccc3c2CCO3)n1.[C-]#[N+]C(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC)c3)ccc3c2CCO3)n1.

What is the InChIKey of 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(methylamino)propan-2-yl]pyrazol-3-yl]sulfonylurea?

The InChIKey is NSIMLTCBIQWNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O5S.C24H30N6O4S.C22H20F2N6O5S.C22H22N6O5S/c1-26(2,16-31(3)4)32-13-10-23(29-32)38(34,35)30-25(33)28-24-19(7-8-21-20(24)11-14-36-21)17-9-12-27-22(15-17)37-18-5-6-18;1-24(2,15-25-3)30-13-11-21(28-30)35(32,33)29-23(31)27-22-18-7-5-6-16(18)8-9-19(22)17-10-12-26-20(14-17)34-4;1-22(2,25-3)30-10-7-18(28-30)36(32,33)29-21(31)27-19-14(4-5-16-15(19)8-11-34-16)13-6-9-26-17(12-13)35-20(23)24;1-22(2,23-3)28-11-8-19(26-28)34(30,31)27-21(29)25-20-15(5-6-17-16(20)9-12-33-17)14-7-10-24-18(13-14)32-4/h7-10,12-13,15,18H,5-6,11,14,16H2,1-4H3,(H2,28,30,33);8-14,25H,5-7,15H2,1-4H3,(H2,27,29,31);4-7,9-10,12,20H,8,11H2,1-2H3,(H2,27,29,31);5-8,10-11,13H,9,12H2,1-2,4H3,(H2,25,27,29).

What are the key properties of 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(methylamino)propan-2-yl]pyrazol-3-yl]sulfonylurea?

1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(methylamino)propan-2-yl]pyrazol-3-yl]sulfonylurea has a molecular weight of 2040.28 g/mol, XLogP of 12.75, 30 rotatable bonds, 9 hydrogen bond donors, and 33 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-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(methylamino)propan-2-yl]pyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 159870998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).