1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyridazin-4-yl-2,3-dihydro-1H-inden-4-yl)urea

C106H114N28O18S5 — CID 159286673

About 1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyridazin-4-yl-2,3-dihydro-1H-inden-4-yl)urea

1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyridazin-4-yl-2,3-dihydro-1H-inden-4-yl)urea (PubChem CID 159286673) has the molecular formula C106H114N28O18S5 and a molecular weight of 2228.59 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyridazin-4-yl-2,3-dihydro-1H-inden-4-yl)urea.

Molecular Properties

• Compound Name: 1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyridazin-4-yl-2,3-dihydro-1H-inden-4-yl)urea
• PubChem CID: 159286673
• Molecular Formula: C106H114N28O18S5
• Molecular Weight: 2228.59 g/mol
• Exact Mass: 2226.75
• IUPAC Name: 1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyridazin-4-yl-2,3-dihydro-1H-inden-4-yl)urea
• SMILES: CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnnc3)ccc3c2CCC3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCO3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)n(C)n1.[C-]#[N+]c1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1
• InChI: InChI=1S/C22H20N6O3S.C22H23N5O4S.C21H26N6O3S.C21H23N5O5S.C20H22N6O3S/c1-23-19-13-15(9-11-24-19)18-8-5-14-3-2-4-17(14)21(18)25-22(29)27-32(30,31)20-10-12-28(26-20)16-6-7-16;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;1-13(2)27-11-10-19(24-27)31(29,30)25-21(28)22-20-16-7-5-6-15(16)8-9-17(20)18-12-14(3)23-26(18)4;1-13(2)26-10-7-19(24-26)32(28,29)25-21(27)23-20-15(4-5-17-16(20)8-11-31-17)14-6-9-22-18(12-14)30-3;1-13(2)26-11-9-18(24-26)30(28,29)25-20(27)23-19-16-5-3-4-14(16)6-7-17(19)15-8-10-21-22-12-15/h5,8-13,16H,2-4,6-7H2,(H2,25,27,29);5,8-13,16H,2-4,6-7H2,1H3,(H2,24,26,28);8-13H,5-7H2,1-4H3,(H2,22,25,28);4-7,9-10,12-13H,8,11H2,1-3H3,(H2,23,25,27);6-13H,3-5H2,1-2H3,(H2,23,25,27)
• InChIKey: KZPFXUQXMPKODT-UHFFFAOYSA-N
• XLogP: 16.19
• TPSA: 579.77 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2228.59
LogP ≤ 5	16.19
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyridazin-4-yl-2,3-dihydro-1H-inden-4-yl)urea?

The IUPAC name of 1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyridazin-4-yl-2,3-dihydro-1H-inden-4-yl)urea (CID 159286673) is 1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyridazin-4-yl-2,3-dihydro-1H-inden-4-yl)urea.

What is the SMILES notation for 1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyridazin-4-yl-2,3-dihydro-1H-inden-4-yl)urea?

The canonical SMILES for 1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyridazin-4-yl-2,3-dihydro-1H-inden-4-yl)urea is CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnnc3)ccc3c2CCC3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCO3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)n(C)n1.[C-]#[N+]c1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.

What is the InChIKey of 1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyridazin-4-yl-2,3-dihydro-1H-inden-4-yl)urea?

The InChIKey is KZPFXUQXMPKODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3S.C22H23N5O4S.C21H26N6O3S.C21H23N5O5S.C20H22N6O3S/c1-23-19-13-15(9-11-24-19)18-8-5-14-3-2-4-17(14)21(18)25-22(29)27-32(30,31)20-10-12-28(26-20)16-6-7-16;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;1-13(2)27-11-10-19(24-27)31(29,30)25-21(28)22-20-16-7-5-6-15(16)8-9-17(20)18-12-14(3)23-26(18)4;1-13(2)26-10-7-19(24-26)32(28,29)25-21(27)23-20-15(4-5-17-16(20)8-11-31-17)14-6-9-22-18(12-14)30-3;1-13(2)26-11-9-18(24-26)30(28,29)25-20(27)23-19-16-5-3-4-14(16)6-7-17(19)15-8-10-21-22-12-15/h5,8-13,16H,2-4,6-7H2,(H2,25,27,29);5,8-13,16H,2-4,6-7H2,1H3,(H2,24,26,28);8-13H,5-7H2,1-4H3,(H2,22,25,28);4-7,9-10,12-13H,8,11H2,1-3H3,(H2,23,25,27);6-13H,3-5H2,1-2H3,(H2,23,25,27).

What are the key properties of 1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyridazin-4-yl-2,3-dihydro-1H-inden-4-yl)urea?

1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyridazin-4-yl-2,3-dihydro-1H-inden-4-yl)urea has a molecular weight of 2228.59 g/mol, XLogP of 16.19, 27 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyridazin-4-yl-2,3-dihydro-1H-inden-4-yl)urea is sourced from PubChem (CID 159286673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).