bis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide

C112H165N24O23P4S4+ — CID 159462642

IUPACbis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
SMILESC.C=CCP(=O)(OCC)OCC.CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CCOP(=O)(CCN(c1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1)C(C)C)OCC.CCOP(=O)(CCN(c1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1)C(C)C)OCC.CCO[P+](=O)CCn1c(C(=O)N2CCN(c3ncccc3NC(C)C)CC2)cc2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/2C28H41N6O6PS.C26H36N6O5PS.C22H28N6O3S.C7H15O3P.CH4/c2*1-6-39-41(36,40-7-2)18-17-34(21(3)4)26-9-8-12-29-27(26)32-13-15-33(16-14-32)28(35)25-20-22-19-23(31-42(5,37)38)10-11-24(22)30-25;1-5-37-38(34)16-15-32-23-9-8-21(29-39(4,35)36)17-20(23)18-24(32)26(33)31-13-11-30(12-14-31)25-22(28-19(2)3)7-6-10-27-25;1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-4-7-11(8,9-5-2)10-6-3;/h2*8-12,19-21,30-31H,6-7,13-18H2,1-5H3;6-10,17-19,28-29H,5,11-16H2,1-4H3;4-8,13-15,24-26H,9-12H2,1-3H3;4H,1,5-7H2,2-3H3;1H4/q;;+1;;;
InChIKeyLTQGGHMFROCQAX-UHFFFAOYSA-N
MW2467.86 g/mol
LogP18.52
Rot. Bonds49

About bis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide

bis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide (PubChem CID 159462642) has the molecular formula C112H165N24O23P4S4+ and a molecular weight of 2467.86 g/mol. Its IUPAC name is bis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide.

Molecular Properties

Compound Namebis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
PubChem CID159462642
Molecular FormulaC112H165N24O23P4S4+
Molecular Weight2467.86 g/mol
Exact Mass2466.03
IUPAC Namebis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
SMILESC.C=CCP(=O)(OCC)OCC.CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CCOP(=O)(CCN(c1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1)C(C)C)OCC.CCOP(=O)(CCN(c1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1)C(C)C)OCC.CCO[P+](=O)CCn1c(C(=O)N2CCN(c3ncccc3NC(C)C)CC2)cc2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/2C28H41N6O6PS.C26H36N6O5PS.C22H28N6O3S.C7H15O3P.CH4/c2*1-6-39-41(36,40-7-2)18-17-34(21(3)4)26-9-8-12-29-27(26)32-13-15-33(16-14-32)28(35)25-20-22-19-23(31-42(5,37)38)10-11-24(22)30-25;1-5-37-38(34)16-15-32-23-9-8-21(29-39(4,35)36)17-20(23)18-24(32)26(33)31-13-11-30(12-14-31)25-22(28-19(2)3)7-6-10-27-25;1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-4-7-11(8,9-5-2)10-6-3;/h2*8-12,19-21,30-31H,6-7,13-18H2,1-5H3;6-10,17-19,28-29H,5,11-16H2,1-4H3;4-8,13-15,24-26H,9-12H2,1-3H3;4H,1,5-7H2,2-3H3;1H4/q;;+1;;;
InChIKeyLTQGGHMFROCQAX-UHFFFAOYSA-N
XLogP18.52
TPSA546.17 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds49
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002467.86
LogP ≤ 518.52
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide?
The IUPAC name of bis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide (CID 159462642) is bis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide.
What is the SMILES notation for bis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide?
The canonical SMILES for bis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide is C.C=CCP(=O)(OCC)OCC.CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CCOP(=O)(CCN(c1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1)C(C)C)OCC.CCOP(=O)(CCN(c1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1)C(C)C)OCC.CCO[P+](=O)CCn1c(C(=O)N2CCN(c3ncccc3NC(C)C)CC2)cc2cc(NS(C)(=O)=O)ccc21.
What is the InChIKey of bis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide?
The InChIKey is LTQGGHMFROCQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H41N6O6PS.C26H36N6O5PS.C22H28N6O3S.C7H15O3P.CH4/c2*1-6-39-41(36,40-7-2)18-17-34(21(3)4)26-9-8-12-29-27(26)32-13-15-33(16-14-32)28(35)25-20-22-19-23(31-42(5,37)38)10-11-24(22)30-25;1-5-37-38(34)16-15-32-23-9-8-21(29-39(4,35)36)17-20(23)18-24(32)26(33)31-13-11-30(12-14-31)25-22(28-19(2)3)7-6-10-27-25;1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-4-7-11(8,9-5-2)10-6-3;/h2*8-12,19-21,30-31H,6-7,13-18H2,1-5H3;6-10,17-19,28-29H,5,11-16H2,1-4H3;4-8,13-15,24-26H,9-12H2,1-3H3;4H,1,5-7H2,2-3H3;1H4/q;;+1;;;.
What are the key properties of bis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide?
bis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide has a molecular weight of 2467.86 g/mol, XLogP of 18.52, 49 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[2-[4-[3-[2-diethoxyphosphorylethyl(propan-2-yl)amino]-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide);3-diethoxyphosphorylprop-1-ene;ethoxy-[2-[5-(methanesulfonamido)-2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-1-yl]ethyl]-oxophosphanium;methane;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide is sourced from PubChem (CID 159462642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).