pentasodium;N'-[(1-cyclobutylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(2-methoxyethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)sulfamoyl]carbamimidate

C123H163F2N28Na5O17S5 — CID 167620446

About pentasodium;N'-[(1-cyclobutylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(2-methoxyethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)sulfamoyl]carbamimidate

pentasodium;N'-[(1-cyclobutylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(2-methoxyethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)sulfamoyl]carbamimidate (PubChem CID 167620446) has the molecular formula C123H163F2N28Na5O17S5 and a molecular weight of 2619.12 g/mol. Its IUPAC name is pentasodium;N'-[(1-cyclobutylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(2-methoxyethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)sulfamoyl]carbamimidate.

Molecular Properties

• Compound Name: pentasodium;N'-[(1-cyclobutylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(2-methoxyethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)sulfamoyl]carbamimidate
• PubChem CID: 167620446
• Molecular Formula: C123H163F2N28Na5O17S5
• Molecular Weight: 2619.12 g/mol
• Exact Mass: 2617.08
• IUPAC Name: pentasodium;N'-[(1-cyclobutylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(2-methoxyethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)sulfamoyl]carbamimidate
• SMILES: CN1CCC(N(C2=CCN=C2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)CC1.CN1CCC(N(c2cnn(C3CC3)c2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)CC1.CN1CCC(N(c2cnn(CC(C)(F)F)c2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)CC1.COCCn1cc(N(C2CCN(C)CC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.O=S(=O)(N=C([O-])Nc1c2c(cc3c1CCC3)CCC2)N(c1cnn(C2CCC2)c1)C1CCOCC1.[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C25H34F2N6O3S.C25H36N6O4S.C25H34N6O3S.C25H33N5O4S.C23H31N5O3S.5Na/c1-25(26,27)16-32-15-20(14-28-32)33(19-9-11-31(2)12-10-19)37(35,36)30-24(34)29-23-21-7-3-5-17(21)13-18-6-4-8-22(18)23;1-29-11-9-20(10-12-29)31(21-16-26-30(17-21)13-14-35-2)36(33,34)28-25(32)27-24-22-7-3-5-18(22)15-19-6-4-8-23(19)24;1-29-12-10-20(11-13-29)31(21-15-26-30(16-21)19-8-9-19)35(33,34)28-25(32)27-24-22-6-2-4-17(22)14-18-5-3-7-23(18)24;31-25(27-24-22-8-1-4-17(22)14-18-5-2-9-23(18)24)28-35(32,33)30(20-10-12-34-13-11-20)21-15-26-29(16-21)19-6-3-7-19;1-27-12-9-18(10-13-27)28(19-8-11-24-15-19)32(30,31)26-23(29)25-22-20-6-2-4-16(20)14-17-5-3-7-21(17)22;;;;;/h13-15,19H,3-12,16H2,1-2H3,(H2,29,30,34);15-17,20H,3-14H2,1-2H3,(H2,27,28,32);14-16,19-20H,2-13H2,1H3,(H2,27,28,32);14-16,19-20H,1-13H2,(H2,27,28,31);8,14-15,18H,2-7,9-13H2,1H3,(H2,25,26,29);;;;;/q;;;;;5*+1/p-5
• InChIKey: IQTYTHBNSTVIOK-UHFFFAOYSA-I
• XLogP: -4.80
• TPSA: 539.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2619.12
LogP ≤ 5	-4.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of pentasodium;N'-[(1-cyclobutylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(2-methoxyethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)sulfamoyl]carbamimidate?

The IUPAC name of pentasodium;N'-[(1-cyclobutylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(2-methoxyethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)sulfamoyl]carbamimidate (CID 167620446) is pentasodium;N'-[(1-cyclobutylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(2-methoxyethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)sulfamoyl]carbamimidate.

What is the SMILES notation for pentasodium;N'-[(1-cyclobutylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(2-methoxyethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)sulfamoyl]carbamimidate?

The canonical SMILES for pentasodium;N'-[(1-cyclobutylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(2-methoxyethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)sulfamoyl]carbamimidate is CN1CCC(N(C2=CCN=C2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)CC1.CN1CCC(N(c2cnn(C3CC3)c2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)CC1.CN1CCC(N(c2cnn(CC(C)(F)F)c2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)CC1.COCCn1cc(N(C2CCN(C)CC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.O=S(=O)(N=C([O-])Nc1c2c(cc3c1CCC3)CCC2)N(c1cnn(C2CCC2)c1)C1CCOCC1.[Na+].[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of pentasodium;N'-[(1-cyclobutylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(2-methoxyethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)sulfamoyl]carbamimidate?

The InChIKey is IQTYTHBNSTVIOK-UHFFFAOYSA-I. The full InChI is InChI=1S/C25H34F2N6O3S.C25H36N6O4S.C25H34N6O3S.C25H33N5O4S.C23H31N5O3S.5Na/c1-25(26,27)16-32-15-20(14-28-32)33(19-9-11-31(2)12-10-19)37(35,36)30-24(34)29-23-21-7-3-5-17(21)13-18-6-4-8-22(18)23;1-29-11-9-20(10-12-29)31(21-16-26-30(17-21)13-14-35-2)36(33,34)28-25(32)27-24-22-7-3-5-18(22)15-19-6-4-8-23(19)24;1-29-12-10-20(11-13-29)31(21-15-26-30(16-21)19-8-9-19)35(33,34)28-25(32)27-24-22-6-2-4-17(22)14-18-5-3-7-23(18)24;31-25(27-24-22-8-1-4-17(22)14-18-5-2-9-23(18)24)28-35(32,33)30(20-10-12-34-13-11-20)21-15-26-29(16-21)19-6-3-7-19;1-27-12-9-18(10-13-27)28(19-8-11-24-15-19)32(30,31)26-23(29)25-22-20-6-2-4-16(20)14-17-5-3-7-21(17)22;;;;;/h13-15,19H,3-12,16H2,1-2H3,(H2,29,30,34);15-17,20H,3-14H2,1-2H3,(H2,27,28,32);14-16,19-20H,2-13H2,1H3,(H2,27,28,32);14-16,19-20H,1-13H2,(H2,27,28,31);8,14-15,18H,2-7,9-13H2,1H3,(H2,25,26,29);;;;;/q;;;;;5*+1/p-5.

What are the key properties of pentasodium;N'-[(1-cyclobutylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(2-methoxyethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)sulfamoyl]carbamimidate?

pentasodium;N'-[(1-cyclobutylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(2-methoxyethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)sulfamoyl]carbamimidate has a molecular weight of 2619.12 g/mol, XLogP of -4.80, 32 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for pentasodium;N'-[(1-cyclobutylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(2-methoxyethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(2H-pyrrol-4-yl)sulfamoyl]carbamimidate is sourced from PubChem (CID 167620446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).