lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide

C83H77Cl7LiN16O15P — CID 158814812

IUPAClithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide
SMILESC/C=C(\CC)C(=O)OCC.CCC(=CNc1ccnn1-c1ccccc1)CC.CCc1cnc2c(c(C)nn2-c2ccccc2)c1Cl.Clc1ccnc2c1cnn2-c1ccccc1.Nc1ccnn1-c1ccccc1.O=C(Nc1ccc(Cl)cc1)c1cnc2c(cnn2-c2ccccc2)c1Cl.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=P(Cl)(Cl)Cl.[Li+].[OH-]
InChIInChI=1S/C19H12Cl2N4O.C15H14ClN3.C15H19N3.C12H8ClN3.C9H9N3.C8H14O2.5CO2.Cl3OP.Li.H2O/c20-12-6-8-13(9-7-12)24-19(26)16-10-22-18-15(17(16)21)11-23-25(18)14-4-2-1-3-5-14;1-3-11-9-17-15-13(14(11)16)10(2)18-19(15)12-7-5-4-6-8-12;1-3-13(4-2)12-16-15-10-11-17-18(15)14-8-6-5-7-9-14;13-11-6-7-14-12-10(11)8-15-16(12)9-4-2-1-3-5-9;10-9-6-7-11-12(9)8-4-2-1-3-5-8;1-4-7(5-2)8(9)10-6-3;5*2-1-3;1-5(2,3)4;;/h1-11H,(H,24,26);4-9H,3H2,1-2H3;5-12,16H,3-4H2,1-2H3;1-8H;1-7H,10H2;4H,5-6H2,1-3H3;;;;;;;;1H2/q;;;;;;;;;;;;+1;/p-1/b;;;;;7-4+;;;;;;;;
InChIKeyIVDAJLABPODHKA-XWUJPPGPSA-M
MW1824.71 g/mol
LogP16.07
Rot. Bonds15

About lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide

lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide (PubChem CID 158814812) has the molecular formula C83H77Cl7LiN16O15P and a molecular weight of 1824.71 g/mol. Its IUPAC name is lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide.

Molecular Properties

Compound Namelithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide
PubChem CID158814812
Molecular FormulaC83H77Cl7LiN16O15P
Molecular Weight1824.71 g/mol
Exact Mass1820.35
IUPAC Namelithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide
SMILESC/C=C(\CC)C(=O)OCC.CCC(=CNc1ccnn1-c1ccccc1)CC.CCc1cnc2c(c(C)nn2-c2ccccc2)c1Cl.Clc1ccnc2c1cnn2-c1ccccc1.Nc1ccnn1-c1ccccc1.O=C(Nc1ccc(Cl)cc1)c1cnc2c(cnn2-c2ccccc2)c1Cl.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=P(Cl)(Cl)Cl.[Li+].[OH-]
InChIInChI=1S/C19H12Cl2N4O.C15H14ClN3.C15H19N3.C12H8ClN3.C9H9N3.C8H14O2.5CO2.Cl3OP.Li.H2O/c20-12-6-8-13(9-7-12)24-19(26)16-10-22-18-15(17(16)21)11-23-25(18)14-4-2-1-3-5-14;1-3-11-9-17-15-13(14(11)16)10(2)18-19(15)12-7-5-4-6-8-12;1-3-13(4-2)12-16-15-10-11-17-18(15)14-8-6-5-7-9-14;13-11-6-7-14-12-10(11)8-15-16(12)9-4-2-1-3-5-9;10-9-6-7-11-12(9)8-4-2-1-3-5-8;1-4-7(5-2)8(9)10-6-3;5*2-1-3;1-5(2,3)4;;/h1-11H,(H,24,26);4-9H,3H2,1-2H3;5-12,16H,3-4H2,1-2H3;1-8H;1-7H,10H2;4H,5-6H2,1-3H3;;;;;;;;1H2/q;;;;;;;;;;;;+1;/p-1/b;;;;;7-4+;;;;;;;;
InChIKeyIVDAJLABPODHKA-XWUJPPGPSA-M
XLogP16.07
TPSA438.99 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds15
Heavy Atoms123
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001824.71
LogP ≤ 516.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide?
The IUPAC name of lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide (CID 158814812) is lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide.
What is the SMILES notation for lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide?
The canonical SMILES for lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide is C/C=C(\CC)C(=O)OCC.CCC(=CNc1ccnn1-c1ccccc1)CC.CCc1cnc2c(c(C)nn2-c2ccccc2)c1Cl.Clc1ccnc2c1cnn2-c1ccccc1.Nc1ccnn1-c1ccccc1.O=C(Nc1ccc(Cl)cc1)c1cnc2c(cnn2-c2ccccc2)c1Cl.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=P(Cl)(Cl)Cl.[Li+].[OH-].
What is the InChIKey of lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide?
The InChIKey is IVDAJLABPODHKA-XWUJPPGPSA-M. The full InChI is InChI=1S/C19H12Cl2N4O.C15H14ClN3.C15H19N3.C12H8ClN3.C9H9N3.C8H14O2.5CO2.Cl3OP.Li.H2O/c20-12-6-8-13(9-7-12)24-19(26)16-10-22-18-15(17(16)21)11-23-25(18)14-4-2-1-3-5-14;1-3-11-9-17-15-13(14(11)16)10(2)18-19(15)12-7-5-4-6-8-12;1-3-13(4-2)12-16-15-10-11-17-18(15)14-8-6-5-7-9-14;13-11-6-7-14-12-10(11)8-15-16(12)9-4-2-1-3-5-9;10-9-6-7-11-12(9)8-4-2-1-3-5-8;1-4-7(5-2)8(9)10-6-3;5*2-1-3;1-5(2,3)4;;/h1-11H,(H,24,26);4-9H,3H2,1-2H3;5-12,16H,3-4H2,1-2H3;1-8H;1-7H,10H2;4H,5-6H2,1-3H3;;;;;;;;1H2/q;;;;;;;;;;;;+1;/p-1/b;;;;;7-4+;;;;;;;;.
What are the key properties of lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide?
lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide has a molecular weight of 1824.71 g/mol, XLogP of 16.07, 15 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide is sourced from PubChem (CID 158814812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).