azane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride

C77H91BrCl4F6N15O19P3Si — CID 157268044

IUPACazane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride
SMILESCCOP(=O)(OCC)c1ccc2c(C(=O)O)nn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1.CCOP(=O)(OCC)c1ccc2c(C(N)=O)nn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1.C[Si](C)(C)Br.Cl.N.NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(P(=O)(O)O)ccc12
InChIInChI=1S/C26H29ClF2N5O6P.C26H28ClF2N4O7P.C22H21ClF2N5O6P.C3H9BrSi.ClH.H3N/c1-3-39-41(38,40-4-2)17-8-9-18-20(11-17)34(32-24(18)25(30)36)14-22(35)33-13-16(28)10-21(33)26(37)31-12-15-6-5-7-19(27)23(15)29;1-3-39-41(38,40-4-2)17-8-9-18-20(11-17)33(31-24(18)26(36)37)14-22(34)32-13-16(28)10-21(32)25(35)30-12-15-6-5-7-19(27)23(15)29;23-15-3-1-2-11(19(15)25)8-27-22(33)17-6-12(24)9-29(17)18(31)10-30-16-7-13(37(34,35)36)4-5-14(16)20(28-30)21(26)32;1-5(2,3)4;;/h5-9,11,16,21H,3-4,10,12-14H2,1-2H3,(H2,30,36)(H,31,37);5-9,11,16,21H,3-4,10,12-14H2,1-2H3,(H,30,35)(H,36,37);1-5,7,12,17H,6,8-10H2,(H2,26,32)(H,27,33)(H2,34,35,36);1-3H3;1H;1H3/t2*16-,21+;12-,17+;;;/m111.../s1
InChIKeyZJBNEDWEPGQSEM-PBPTUIGESA-N
MW1987.37 g/mol
LogP10.53
Rot. Bonds29

About azane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride

azane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride (PubChem CID 157268044) has the molecular formula C77H91BrCl4F6N15O19P3Si and a molecular weight of 1987.37 g/mol. Its IUPAC name is azane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nameazane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride
PubChem CID157268044
Molecular FormulaC77H91BrCl4F6N15O19P3Si
Molecular Weight1987.37 g/mol
Exact Mass1983.34
IUPAC Nameazane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride
SMILESCCOP(=O)(OCC)c1ccc2c(C(=O)O)nn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1.CCOP(=O)(OCC)c1ccc2c(C(N)=O)nn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1.C[Si](C)(C)Br.Cl.N.NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(P(=O)(O)O)ccc12
InChIInChI=1S/C26H29ClF2N5O6P.C26H28ClF2N4O7P.C22H21ClF2N5O6P.C3H9BrSi.ClH.H3N/c1-3-39-41(38,40-4-2)17-8-9-18-20(11-17)34(32-24(18)25(30)36)14-22(35)33-13-16(28)10-21(33)26(37)31-12-15-6-5-7-19(27)23(15)29;1-3-39-41(38,40-4-2)17-8-9-18-20(11-17)33(31-24(18)26(36)37)14-22(34)32-13-16(28)10-21(32)25(35)30-12-15-6-5-7-19(27)23(15)29;23-15-3-1-2-11(19(15)25)8-27-22(33)17-6-12(24)9-29(17)18(31)10-30-16-7-13(37(34,35)36)4-5-14(16)20(28-30)21(26)32;1-5(2,3)4;;/h5-9,11,16,21H,3-4,10,12-14H2,1-2H3,(H2,30,36)(H,31,37);5-9,11,16,21H,3-4,10,12-14H2,1-2H3,(H,30,35)(H,36,37);1-5,7,12,17H,6,8-10H2,(H2,26,32)(H,27,33)(H2,34,35,36);1-3H3;1H;1H3/t2*16-,21+;12-,17+;;;/m111.../s1
InChIKeyZJBNEDWEPGQSEM-PBPTUIGESA-N
XLogP10.53
TPSA488.76 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001987.37
LogP ≤ 510.53
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze azane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of azane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride?
The IUPAC name of azane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride (CID 157268044) is azane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for azane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride?
The canonical SMILES for azane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride is CCOP(=O)(OCC)c1ccc2c(C(=O)O)nn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1.CCOP(=O)(OCC)c1ccc2c(C(N)=O)nn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1.C[Si](C)(C)Br.Cl.N.NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(P(=O)(O)O)ccc12.
What is the InChIKey of azane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride?
The InChIKey is ZJBNEDWEPGQSEM-PBPTUIGESA-N. The full InChI is InChI=1S/C26H29ClF2N5O6P.C26H28ClF2N4O7P.C22H21ClF2N5O6P.C3H9BrSi.ClH.H3N/c1-3-39-41(38,40-4-2)17-8-9-18-20(11-17)34(32-24(18)25(30)36)14-22(35)33-13-16(28)10-21(33)26(37)31-12-15-6-5-7-19(27)23(15)29;1-3-39-41(38,40-4-2)17-8-9-18-20(11-17)33(31-24(18)26(36)37)14-22(34)32-13-16(28)10-21(32)25(35)30-12-15-6-5-7-19(27)23(15)29;23-15-3-1-2-11(19(15)25)8-27-22(33)17-6-12(24)9-29(17)18(31)10-30-16-7-13(37(34,35)36)4-5-14(16)20(28-30)21(26)32;1-5(2,3)4;;/h5-9,11,16,21H,3-4,10,12-14H2,1-2H3,(H2,30,36)(H,31,37);5-9,11,16,21H,3-4,10,12-14H2,1-2H3,(H,30,35)(H,36,37);1-5,7,12,17H,6,8-10H2,(H2,26,32)(H,27,33)(H2,34,35,36);1-3H3;1H;1H3/t2*16-,21+;12-,17+;;;/m111.../s1.
What are the key properties of azane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride?
azane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride has a molecular weight of 1987.37 g/mol, XLogP of 10.53, 29 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 157268044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).