3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxypiperidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxypyrrolidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea

C70H91N15O16S3 — CID 158756195

About 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxypiperidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxypyrrolidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea

3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxypiperidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxypyrrolidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea (PubChem CID 158756195) has the molecular formula C70H91N15O16S3 and a molecular weight of 1494.79 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxypiperidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxypyrrolidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea.

Molecular Properties

• Compound Name: 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxypiperidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxypyrrolidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea
• PubChem CID: 158756195
• Molecular Formula: C70H91N15O16S3
• Molecular Weight: 1494.79 g/mol
• Exact Mass: 1493.59
• IUPAC Name: 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxypiperidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxypyrrolidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea
• SMILES: COC1CCN(C(=O)c2cc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)nn2C)C1.COCCN(CCOC)C(=O)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C.Cn1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1C(=O)N1CCC(O)CC1
• InChI: InChI=1S/C24H33N5O6S.2C23H29N5O5S/c1-28-20(23(30)29(10-12-34-2)11-13-35-3)15-21(26-28)36(32,33)27-24(31)25-22-18-8-4-6-16(18)14-17-7-5-9-19(17)22;1-27-19(22(29)28-10-9-16(13-28)33-2)12-20(25-27)34(31,32)26-23(30)24-21-17-7-3-5-14(17)11-15-6-4-8-18(15)21;1-27-19(22(30)28-10-8-16(29)9-11-28)13-20(25-27)34(32,33)26-23(31)24-21-17-6-2-4-14(17)12-15-5-3-7-18(15)21/h14-15H,4-13H2,1-3H3,(H2,25,27,31);11-12,16H,3-10,13H2,1-2H3,(H2,24,26,30);12-13,16,29H,2-11H2,1H3,(H2,24,26,31)
• InChIKey: IOCLEGMLQCSALW-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 388.12 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1494.79
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxypiperidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxypyrrolidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea?

The IUPAC name of 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxypiperidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxypyrrolidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea (CID 158756195) is 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxypiperidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxypyrrolidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea.

What is the SMILES notation for 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxypiperidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxypyrrolidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea?

The canonical SMILES for 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxypiperidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxypyrrolidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea is COC1CCN(C(=O)c2cc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)nn2C)C1.COCCN(CCOC)C(=O)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C.Cn1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1C(=O)N1CCC(O)CC1.

What is the InChIKey of 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxypiperidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxypyrrolidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea?

The InChIKey is IOCLEGMLQCSALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O6S.2C23H29N5O5S/c1-28-20(23(30)29(10-12-34-2)11-13-35-3)15-21(26-28)36(32,33)27-24(31)25-22-18-8-4-6-16(18)14-17-7-5-9-19(17)22;1-27-19(22(29)28-10-9-16(13-28)33-2)12-20(25-27)34(31,32)26-23(30)24-21-17-7-3-5-14(17)11-15-6-4-8-18(15)21;1-27-19(22(30)28-10-8-16(29)9-11-28)13-20(25-27)34(32,33)26-23(31)24-21-17-6-2-4-14(17)12-15-5-3-7-18(15)21/h14-15H,4-13H2,1-3H3,(H2,25,27,31);11-12,16H,3-10,13H2,1-2H3,(H2,24,26,30);12-13,16,29H,2-11H2,1H3,(H2,24,26,31).

What are the key properties of 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxypiperidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxypyrrolidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea?

3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxypiperidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxypyrrolidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea has a molecular weight of 1494.79 g/mol, XLogP of 4.92, 19 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxypiperidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxypyrrolidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 158756195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).