1-[5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-hydroxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(hydroxymethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-methoxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(1-methylpyrrolidin-3-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

C120H145N27O22S5 — CID 158172565

About 1-[5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-hydroxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(hydroxymethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-methoxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(1-methylpyrrolidin-3-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

1-[5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-hydroxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(hydroxymethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-methoxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(1-methylpyrrolidin-3-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (PubChem CID 158172565) has the molecular formula C120H145N27O22S5 and a molecular weight of 2477.98 g/mol. Its IUPAC name is 1-[5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-hydroxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(hydroxymethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-methoxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(1-methylpyrrolidin-3-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.

Molecular Properties

• Compound Name: 1-[5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-hydroxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(hydroxymethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-methoxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(1-methylpyrrolidin-3-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
• PubChem CID: 158172565
• Molecular Formula: C120H145N27O22S5
• Molecular Weight: 2477.98 g/mol
• Exact Mass: 2475.97
• IUPAC Name: 1-[5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-hydroxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(hydroxymethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-methoxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(1-methylpyrrolidin-3-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
• SMILES: CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(CO)c3)ccc3c2CCC3)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC4CCN(C)C4)c3)ccc3c2CCC3)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OCCN(C)C)c3)ccc3c2CCC3)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OCCO)c3)ccc3c2CCC3)n1.COCCOc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)ccn1
• InChI: InChI=1S/C26H32N6O4S.C25H32N6O4S.C24H29N5O5S.C23H27N5O5S.C22H25N5O4S/c1-17(2)32-14-11-24(29-32)37(34,35)30-26(33)28-25-21-6-4-5-18(21)7-8-22(25)19-9-12-27-23(15-19)36-20-10-13-31(3)16-20;1-17(2)31-13-11-23(28-31)36(33,34)29-25(32)27-24-20-7-5-6-18(20)8-9-21(24)19-10-12-26-22(16-19)35-15-14-30(3)4;1-16(2)29-12-10-22(27-29)35(31,32)28-24(30)26-23-19-6-4-5-17(19)7-8-20(23)18-9-11-25-21(15-18)34-14-13-33-3;1-15(2)28-11-9-21(26-28)34(31,32)27-23(30)25-22-18-5-3-4-16(18)6-7-19(22)17-8-10-24-20(14-17)33-13-12-29;1-14(2)27-11-9-20(25-27)32(30,31)26-22(29)24-21-18-5-3-4-15(18)6-7-19(21)16-8-10-23-17(12-16)13-28/h7-9,11-12,14-15,17,20H,4-6,10,13,16H2,1-3H3,(H2,28,30,33);8-13,16-17H,5-7,14-15H2,1-4H3,(H2,27,29,32);7-12,15-16H,4-6,13-14H2,1-3H3,(H2,26,28,30);6-11,14-15,29H,3-5,12-13H2,1-2H3,(H2,25,27,30);6-12,14,28H,3-5,13H2,1-2H3,(H2,24,26,29)
• InChIKey: FXQBPIKEAKZXGA-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 622.99 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 39
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2477.98
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-hydroxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(hydroxymethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-methoxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(1-methylpyrrolidin-3-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?

The IUPAC name of 1-[5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-hydroxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(hydroxymethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-methoxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(1-methylpyrrolidin-3-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (CID 158172565) is 1-[5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-hydroxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(hydroxymethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-methoxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(1-methylpyrrolidin-3-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.

What is the SMILES notation for 1-[5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-hydroxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(hydroxymethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-methoxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(1-methylpyrrolidin-3-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?

The canonical SMILES for 1-[5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-hydroxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(hydroxymethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-methoxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(1-methylpyrrolidin-3-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(CO)c3)ccc3c2CCC3)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC4CCN(C)C4)c3)ccc3c2CCC3)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OCCN(C)C)c3)ccc3c2CCC3)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OCCO)c3)ccc3c2CCC3)n1.COCCOc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)ccn1.

What is the InChIKey of 1-[5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-hydroxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(hydroxymethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-methoxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(1-methylpyrrolidin-3-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?

The InChIKey is FXQBPIKEAKZXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4S.C25H32N6O4S.C24H29N5O5S.C23H27N5O5S.C22H25N5O4S/c1-17(2)32-14-11-24(29-32)37(34,35)30-26(33)28-25-21-6-4-5-18(21)7-8-22(25)19-9-12-27-23(15-19)36-20-10-13-31(3)16-20;1-17(2)31-13-11-23(28-31)36(33,34)29-25(32)27-24-20-7-5-6-18(20)8-9-21(24)19-10-12-26-22(16-19)35-15-14-30(3)4;1-16(2)29-12-10-22(27-29)35(31,32)28-24(30)26-23-19-6-4-5-17(19)7-8-20(23)18-9-11-25-21(15-18)34-14-13-33-3;1-15(2)28-11-9-21(26-28)34(31,32)27-23(30)25-22-18-5-3-4-16(18)6-7-19(22)17-8-10-24-20(14-17)33-13-12-29;1-14(2)27-11-9-20(25-27)32(30,31)26-22(29)24-21-18-5-3-4-15(18)6-7-19(21)16-8-10-23-17(12-16)13-28/h7-9,11-12,14-15,17,20H,4-6,10,13,16H2,1-3H3,(H2,28,30,33);8-13,16-17H,5-7,14-15H2,1-4H3,(H2,27,29,32);7-12,15-16H,4-6,13-14H2,1-3H3,(H2,26,28,30);6-11,14-15,29H,3-5,12-13H2,1-2H3,(H2,25,27,30);6-12,14,28H,3-5,13H2,1-2H3,(H2,24,26,29).

What are the key properties of 1-[5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-hydroxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(hydroxymethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-methoxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(1-methylpyrrolidin-3-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?

1-[5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-hydroxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(hydroxymethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-methoxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(1-methylpyrrolidin-3-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea has a molecular weight of 2477.98 g/mol, XLogP of 16.54, 39 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-hydroxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(hydroxymethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(2-methoxyethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-[2-(1-methylpyrrolidin-3-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is sourced from PubChem (CID 158172565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).