hexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate

C144H184F2N32Na6O25S6 — CID 167573631

IUPAChexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate
SMILESC#CCn1cc(N(C2CCN(C)CC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.C#CCn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.CC(F)(F)Cn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.COCCn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.COCn1cc(N(C2CCN(C)CC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.COCn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C25H32N6O3S.C24H31F2N5O4S.C24H34N6O4S.C24H33N5O5S.C24H29N5O4S.C23H31N5O5S.6Na/c1-3-12-30-17-21(16-26-30)31(20-10-13-29(2)14-11-20)35(33,34)28-25(32)27-24-22-8-4-6-18(22)15-19-7-5-9-23(19)24;1-24(25,26)15-30-14-19(13-27-30)31(18-8-10-35-11-9-18)36(33,34)29-23(32)28-22-20-6-2-4-16(20)12-17-5-3-7-21(17)22;1-28-11-9-19(10-12-28)30(20-14-25-29(15-20)16-34-2)35(32,33)27-24(31)26-23-21-7-3-5-17(21)13-18-6-4-8-22(18)23;1-33-13-10-28-16-20(15-25-28)29(19-8-11-34-12-9-19)35(31,32)27-24(30)26-23-21-6-2-4-17(21)14-18-5-3-7-22(18)23;1-2-11-28-16-20(15-25-28)29(19-9-12-33-13-10-19)34(31,32)27-24(30)26-23-21-7-3-5-17(21)14-18-6-4-8-22(18)23;1-32-15-27-14-19(13-24-27)28(18-8-10-33-11-9-18)34(30,31)26-23(29)25-22-20-6-2-4-16(20)12-17-5-3-7-21(17)22;;;;;;/h1,15-17,20H,4-14H2,2H3,(H2,27,28,32);12-14,18H,2-11,15H2,1H3,(H2,28,29,32);13-15,19H,3-12,16H2,1-2H3,(H2,26,27,31);14-16,19H,2-13H2,1H3,(H2,26,27,30);1,14-16,19H,3-13H2,(H2,26,27,30);12-14,18H,2-11,15H2,1H3,(H2,25,26,29);;;;;;/q;;;;;;6*+1/p-6
InChIKeyPIFBCTXCMVTGCM-UHFFFAOYSA-H
MW3131.59 g/mol
LogP-7.86
Rot. Bonds41

About hexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate

hexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate (PubChem CID 167573631) has the molecular formula C144H184F2N32Na6O25S6 and a molecular weight of 3131.59 g/mol. Its IUPAC name is hexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate.

Molecular Properties

Compound Namehexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate
PubChem CID167573631
Molecular FormulaC144H184F2N32Na6O25S6
Molecular Weight3131.59 g/mol
Exact Mass3129.18
IUPAC Namehexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate
SMILESC#CCn1cc(N(C2CCN(C)CC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.C#CCn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.CC(F)(F)Cn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.COCCn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.COCn1cc(N(C2CCN(C)CC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.COCn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C25H32N6O3S.C24H31F2N5O4S.C24H34N6O4S.C24H33N5O5S.C24H29N5O4S.C23H31N5O5S.6Na/c1-3-12-30-17-21(16-26-30)31(20-10-13-29(2)14-11-20)35(33,34)28-25(32)27-24-22-8-4-6-18(22)15-19-7-5-9-23(19)24;1-24(25,26)15-30-14-19(13-27-30)31(18-8-10-35-11-9-18)36(33,34)29-23(32)28-22-20-6-2-4-16(20)12-17-5-3-7-21(17)22;1-28-11-9-19(10-12-28)30(20-14-25-29(15-20)16-34-2)35(32,33)27-24(31)26-23-21-7-3-5-17(21)13-18-6-4-8-22(18)23;1-33-13-10-28-16-20(15-25-28)29(19-8-11-34-12-9-19)35(31,32)27-24(30)26-23-21-6-2-4-17(21)14-18-5-3-7-22(18)23;1-2-11-28-16-20(15-25-28)29(19-9-12-33-13-10-19)34(31,32)27-24(30)26-23-21-7-3-5-17(21)14-18-6-4-8-22(18)23;1-32-15-27-14-19(13-24-27)28(18-8-10-33-11-9-18)34(30,31)26-23(29)25-22-20-6-2-4-16(20)12-17-5-3-7-21(17)22;;;;;;/h1,15-17,20H,4-14H2,2H3,(H2,27,28,32);12-14,18H,2-11,15H2,1H3,(H2,28,29,32);13-15,19H,3-12,16H2,1-2H3,(H2,26,27,31);14-16,19H,2-13H2,1H3,(H2,26,27,30);1,14-16,19H,3-13H2,(H2,26,27,30);12-14,18H,2-11,15H2,1H3,(H2,25,26,29);;;;;;/q;;;;;;6*+1/p-6
InChIKeyPIFBCTXCMVTGCM-UHFFFAOYSA-H
XLogP-7.86
TPSA686.99 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds41
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003131.59
LogP ≤ 5-7.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze hexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate?
The IUPAC name of hexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate (CID 167573631) is hexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate.
What is the SMILES notation for hexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate?
The canonical SMILES for hexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate is C#CCn1cc(N(C2CCN(C)CC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.C#CCn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.CC(F)(F)Cn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.COCCn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.COCn1cc(N(C2CCN(C)CC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.COCn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of hexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate?
The InChIKey is PIFBCTXCMVTGCM-UHFFFAOYSA-H. The full InChI is InChI=1S/C25H32N6O3S.C24H31F2N5O4S.C24H34N6O4S.C24H33N5O5S.C24H29N5O4S.C23H31N5O5S.6Na/c1-3-12-30-17-21(16-26-30)31(20-10-13-29(2)14-11-20)35(33,34)28-25(32)27-24-22-8-4-6-18(22)15-19-7-5-9-23(19)24;1-24(25,26)15-30-14-19(13-27-30)31(18-8-10-35-11-9-18)36(33,34)29-23(32)28-22-20-6-2-4-16(20)12-17-5-3-7-21(17)22;1-28-11-9-19(10-12-28)30(20-14-25-29(15-20)16-34-2)35(32,33)27-24(31)26-23-21-7-3-5-17(21)13-18-6-4-8-22(18)23;1-33-13-10-28-16-20(15-25-28)29(19-8-11-34-12-9-19)35(31,32)27-24(30)26-23-21-6-2-4-17(21)14-18-5-3-7-22(18)23;1-2-11-28-16-20(15-25-28)29(19-9-12-33-13-10-19)34(31,32)27-24(30)26-23-21-7-3-5-17(21)14-18-6-4-8-22(18)23;1-32-15-27-14-19(13-24-27)28(18-8-10-33-11-9-18)34(30,31)26-23(29)25-22-20-6-2-4-16(20)12-17-5-3-7-21(17)22;;;;;;/h1,15-17,20H,4-14H2,2H3,(H2,27,28,32);12-14,18H,2-11,15H2,1H3,(H2,28,29,32);13-15,19H,3-12,16H2,1-2H3,(H2,26,27,31);14-16,19H,2-13H2,1H3,(H2,26,27,30);1,14-16,19H,3-13H2,(H2,26,27,30);12-14,18H,2-11,15H2,1H3,(H2,25,26,29);;;;;;/q;;;;;;6*+1/p-6.
What are the key properties of hexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate?
hexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate has a molecular weight of 3131.59 g/mol, XLogP of -7.86, 41 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for hexasodium;N'-[[1-(2,2-difluoropropyl)pyrazol-4-yl]-(oxan-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]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(1-methylpiperidin-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[[1-(methoxymethyl)pyrazol-4-yl]-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-prop-2-ynylpyrazol-4-yl)sulfamoyl]carbamimidate is sourced from PubChem (CID 167573631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).