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

C117H134F2N30O22S5 — CID 159913573

About 1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;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-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;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 159913573) has the molecular formula C117H134F2N30O22S5 and a molecular weight of 2510.88 g/mol. Its IUPAC name is 1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;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-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;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: 159913573
• Molecular Formula: C117H134F2N30O22S5
• Molecular Weight: 2510.88 g/mol
• Exact Mass: 2508.89
• IUPAC Name: 1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;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: CCn1nc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC)c3)ccc3c2CCC3)cc1CN(C)C.CNCC(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC)c3)ccc3c2CCC3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C(C)C)n2)CCC3)ccn1.[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/C25H32N6O4S.2C24H30N6O4S.C22H20F2N6O5S.C22H22N6O5S/c1-16(2)31-19(15-30(3)4)14-23(28-31)36(33,34)29-25(32)27-24-20-8-6-7-17(20)9-10-21(24)18-11-12-26-22(13-18)35-5;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;1-5-30-18(15-29(2)3)14-22(27-30)35(32,33)28-24(31)26-23-19-8-6-7-16(19)9-10-20(23)17-11-12-25-21(13-17)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/h9-14,16H,6-8,15H2,1-5H3,(H2,27,29,32);8-14,25H,5-7,15H2,1-4H3,(H2,27,29,31);9-14H,5-8,15H2,1-4H3,(H2,26,28,31);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: NXMHUECWDZKMKU-UHFFFAOYSA-N
• XLogP: 16.15
• TPSA: 621.74 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 37
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2510.88
LogP ≤ 5	16.15
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

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-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;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-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;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 159913573) is 1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;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-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;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-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;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 CCn1nc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC)c3)ccc3c2CCC3)cc1CN(C)C.CNCC(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC)c3)ccc3c2CCC3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C(C)C)n2)CCC3)ccn1.[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-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;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 NXMHUECWDZKMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4S.2C24H30N6O4S.C22H20F2N6O5S.C22H22N6O5S/c1-16(2)31-19(15-30(3)4)14-23(28-31)36(33,34)29-25(32)27-24-20-8-6-7-17(20)9-10-21(24)18-11-12-26-22(13-18)35-5;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;1-5-30-18(15-29(2)3)14-22(27-30)35(32,33)28-24(31)26-23-19-8-6-7-16(19)9-10-20(23)17-11-12-25-21(13-17)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/h9-14,16H,6-8,15H2,1-5H3,(H2,27,29,32);8-14,25H,5-7,15H2,1-4H3,(H2,27,29,31);9-14H,5-8,15H2,1-4H3,(H2,26,28,31);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-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;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-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;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 2510.88 g/mol, XLogP of 16.15, 37 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-3-[1-(2-isocyanopropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;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 159913573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).