lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;phosphoryl trichloride;hydroxide — IUPAC name, SMILES, InChIKey & properties

Name: lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;phosphoryl trichloride;hydroxide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

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

lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;phosphoryl trichloride;hydroxide (PubChem CID 157066077) has the molecular formula C67H89Cl7LiN16O15P and a molecular weight of 1644.63 g/mol. Its IUPAC name is lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;phosphoryl trichloride;hydroxide.

Molecular Properties

Compound Name	lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;phosphoryl trichloride;hydroxide
PubChem CID	157066077
Molecular Formula	C67H89Cl7LiN16O15P
Molecular Weight	1644.63 g/mol
Exact Mass	1640.44
IUPAC Name	lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;phosphoryl trichloride;hydroxide
SMILES	C.C.C/C=C(\CC)C(=O)OCC.CCC(=CNc1cc(C)nn1CC)CC.CCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21.CCn1nc(C)c2c(Cl)ccnc21.CCn1nc(C)c2c(Cl)ccnc21.CCn1nc(C)cc1N.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=P(Cl)(Cl)Cl.[Li+].[OH-]
InChI	InChI=1S/C16H14Cl2N4O.C12H21N3.2C9H10ClN3.C8H14O2.C6H11N3.5CO2.2CH4.Cl3OP.Li.H2O/c1-3-22-15-13(9(2)21-22)14(18)12(8-19-15)16(23)20-11-6-4-10(17)5-7-11;1-5-11(6-2)9-13-12-8-10(4)14-15(12)7-3;21-3-13-9-8(6(2)12-13)7(10)4-5-11-9;1-4-7(5-2)8(9)10-6-3;1-3-9-6(7)4-5(2)8-9;52-1-3;;;1-5(2,3)4;;/h4-8H,3H2,1-2H3,(H,20,23);8-9,13H,5-7H2,1-4H3;24-5H,3H2,1-2H3;4H,5-6H2,1-3H3;4H,3,7H2,1-2H3;;;;;;21H4;;;1H2/q;;;;;;;;;;;;;;+1;/p-1/b;;;;7-4+;;;;;;;;;;;
InChIKey	ABWSFMDJFYOPDJ-ABMVCIDTSA-M
XLogP	13.16
TPSA	438.99 Å²
H-Bond Donors	3
H-Bond Acceptors	30
Rotatable Bonds	14
Heavy Atoms	107
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1644.63
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

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-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;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-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;phosphoryl trichloride;hydroxide?

The IUPAC name of lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;phosphoryl trichloride;hydroxide (CID 157066077) is lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;phosphoryl trichloride;hydroxide.

What is the SMILES notation for lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;phosphoryl trichloride;hydroxide?

The canonical SMILES for lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;phosphoryl trichloride;hydroxide is C.C.C/C=C(\CC)C(=O)OCC.CCC(=CNc1cc(C)nn1CC)CC.CCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21.CCn1nc(C)c2c(Cl)ccnc21.CCn1nc(C)c2c(Cl)ccnc21.CCn1nc(C)cc1N.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-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;phosphoryl trichloride;hydroxide?

The InChIKey is ABWSFMDJFYOPDJ-ABMVCIDTSA-M. The full InChI is InChI=1S/C16H14Cl2N4O.C12H21N3.2C9H10ClN3.C8H14O2.C6H11N3.5CO2.2CH4.Cl3OP.Li.H2O/c1-3-22-15-13(9(2)21-22)14(18)12(8-19-15)16(23)20-11-6-4-10(17)5-7-11;1-5-11(6-2)9-13-12-8-10(4)14-15(12)7-3;2*1-3-13-9-8(6(2)12-13)7(10)4-5-11-9;1-4-7(5-2)8(9)10-6-3;1-3-9-6(7)4-5(2)8-9;5*2-1-3;;;1-5(2,3)4;;/h4-8H,3H2,1-2H3,(H,20,23);8-9,13H,5-7H2,1-4H3;2*4-5H,3H2,1-2H3;4H,5-6H2,1-3H3;4H,3,7H2,1-2H3;;;;;;2*1H4;;;1H2/q;;;;;;;;;;;;;;+1;/p-1/b;;;;7-4+;;;;;;;;;;;.

What are the key properties of lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;phosphoryl trichloride;hydroxide?

Where does this data come from?

All data for lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;phosphoryl trichloride;hydroxide is sourced from PubChem (CID 157066077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).