2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline

C144H128ClF6N28O3+ — CID 157211950

IUPAC2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline
SMILESCN1CCN(CCCn2cc(-c3cncc(-c4ccnc(-c5ccccc5F)c4)c3)cn2)CC1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(C3C=N[N+](C4CCNCC4)=C3)c2)ccn1.Fc1ccccc1-c1cc(-c2cncc(-c3cnc4ccccc4c3)c2)ccn1.Fc1ccccc1-c1cc(-c2cncc(-c3cnn(CCCN4CCOCC4)c3)c2)ccn1.OCCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)c2)cn1.OCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)n2)cn1
InChIInChI=1S/C27H29FN6.C26H26FN5O.C25H16FN3.C24H22ClFN5.C22H19FN4O.C20H16FN5O/c1-32-11-13-33(14-12-32)9-4-10-34-20-24(19-31-34)23-15-22(17-29-18-23)21-7-8-30-27(16-21)25-5-2-3-6-26(25)28;27-25-5-2-1-4-24(25)26-15-20(6-7-29-26)21-14-22(17-28-16-21)23-18-30-32(19-23)9-3-8-31-10-12-33-13-11-31;26-23-7-3-2-6-22(23)25-13-17(9-10-28-25)19-12-20(15-27-14-19)21-11-18-5-1-4-8-24(18)29-16-21;25-20-1-2-23(26)22(11-20)24-10-16(3-8-29-24)17-9-18(13-28-12-17)19-14-30-31(15-19)21-4-6-27-7-5-21;23-21-5-2-1-4-20(21)22-11-16(6-7-25-22)17-10-18(13-24-12-17)19-14-26-27(15-19)8-3-9-28;21-17-4-2-1-3-16(17)18-9-14(5-6-23-18)19-11-22-12-20(25-19)15-10-24-26(13-15)7-8-27/h2-3,5-8,15-20H,4,9-14H2,1H3;1-2,4-7,14-19H,3,8-13H2;1-16H;1-3,8-15,19,21,27H,4-7H2;1-2,4-7,10-15,28H,3,8-9H2;1-6,9-13,27H,7-8H2/q;;;+1;;
InChIKeyLPZPCIPKBMHVLL-UHFFFAOYSA-N
MW2448.24 g/mol
LogP27.07
Rot. Bonds32

About 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline

2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline (PubChem CID 157211950) has the molecular formula C144H128ClF6N28O3+ and a molecular weight of 2448.24 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline
PubChem CID157211950
Molecular FormulaC144H128ClF6N28O3+
Molecular Weight2448.24 g/mol
Exact Mass2446.03
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline
SMILESCN1CCN(CCCn2cc(-c3cncc(-c4ccnc(-c5ccccc5F)c4)c3)cn2)CC1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(C3C=N[N+](C4CCNCC4)=C3)c2)ccn1.Fc1ccccc1-c1cc(-c2cncc(-c3cnc4ccccc4c3)c2)ccn1.Fc1ccccc1-c1cc(-c2cncc(-c3cnn(CCCN4CCOCC4)c3)c2)ccn1.OCCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)c2)cn1.OCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)n2)cn1
InChIInChI=1S/C27H29FN6.C26H26FN5O.C25H16FN3.C24H22ClFN5.C22H19FN4O.C20H16FN5O/c1-32-11-13-33(14-12-32)9-4-10-34-20-24(19-31-34)23-15-22(17-29-18-23)21-7-8-30-27(16-21)25-5-2-3-6-26(25)28;27-25-5-2-1-4-24(25)26-15-20(6-7-29-26)21-14-22(17-28-16-21)23-18-30-32(19-23)9-3-8-31-10-12-33-13-11-31;26-23-7-3-2-6-22(23)25-13-17(9-10-28-25)19-12-20(15-27-14-19)21-11-18-5-1-4-8-24(18)29-16-21;25-20-1-2-23(26)22(11-20)24-10-16(3-8-29-24)17-9-18(13-28-12-17)19-14-30-31(15-19)21-4-6-27-7-5-21;23-21-5-2-1-4-20(21)22-11-16(6-7-25-22)17-10-18(13-24-12-17)19-14-26-27(15-19)8-3-9-28;21-17-4-2-1-3-16(17)18-9-14(5-6-23-18)19-11-22-12-20(25-19)15-10-24-26(13-15)7-8-27/h2-3,5-8,15-20H,4,9-14H2,1H3;1-2,4-7,14-19H,3,8-13H2;1-16H;1-3,8-15,19,21,27H,4-7H2;1-2,4-7,10-15,28H,3,8-9H2;1-6,9-13,27H,7-8H2/q;;;+1;;
InChIKeyLPZPCIPKBMHVLL-UHFFFAOYSA-N
XLogP27.07
TPSA338.55 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds32
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002448.24
LogP ≤ 527.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;2-[4-[5-[2-(2,5-difluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;2-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]ethanol
CID 157217318
2-[4-[5-[2-(5-Chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2,5-difluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-[4-[5-[2-(2,5-difluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]ethanol
CID 158673237
2-(5-Chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2,5-difluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine
CID 159074312
3-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(2,5-difluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;2-[4-[5-[2-(2,5-difluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]ethanol
CID 160108679
2-(5-Chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2,5-difluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine
CID 160407164
3-(4-Chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 157169767
2-Chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol
CID 157307278
2-[4-[4-(6-Chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;4-(4-iodopyrazol-1-yl)piperidine;2-[4-(4-iodopyrazol-1-yl)piperidin-1-yl]ethanol
CID 157440351
3-(4-Chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine
CID 157526876
3-(4-Chlorophenyl)-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 157841632
2-(5-Chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline
CID 157941384
2-Chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 158629420

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline (CID 157211950) is 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline is CN1CCN(CCCn2cc(-c3cncc(-c4ccnc(-c5ccccc5F)c4)c3)cn2)CC1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(C3C=N[N+](C4CCNCC4)=C3)c2)ccn1.Fc1ccccc1-c1cc(-c2cncc(-c3cnc4ccccc4c3)c2)ccn1.Fc1ccccc1-c1cc(-c2cncc(-c3cnn(CCCN4CCOCC4)c3)c2)ccn1.OCCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)c2)cn1.OCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)n2)cn1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline?
The InChIKey is LPZPCIPKBMHVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6.C26H26FN5O.C25H16FN3.C24H22ClFN5.C22H19FN4O.C20H16FN5O/c1-32-11-13-33(14-12-32)9-4-10-34-20-24(19-31-34)23-15-22(17-29-18-23)21-7-8-30-27(16-21)25-5-2-3-6-26(25)28;27-25-5-2-1-4-24(25)26-15-20(6-7-29-26)21-14-22(17-28-16-21)23-18-30-32(19-23)9-3-8-31-10-12-33-13-11-31;26-23-7-3-2-6-22(23)25-13-17(9-10-28-25)19-12-20(15-27-14-19)21-11-18-5-1-4-8-24(18)29-16-21;25-20-1-2-23(26)22(11-20)24-10-16(3-8-29-24)17-9-18(13-28-12-17)19-14-30-31(15-19)21-4-6-27-7-5-21;23-21-5-2-1-4-20(21)22-11-16(6-7-25-22)17-10-18(13-24-12-17)19-14-26-27(15-19)8-3-9-28;21-17-4-2-1-3-16(17)18-9-14(5-6-23-18)19-11-22-12-20(25-19)15-10-24-26(13-15)7-8-27/h2-3,5-8,15-20H,4,9-14H2,1H3;1-2,4-7,14-19H,3,8-13H2;1-16H;1-3,8-15,19,21,27H,4-7H2;1-2,4-7,10-15,28H,3,8-9H2;1-6,9-13,27H,7-8H2/q;;;+1;;.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline?
2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline has a molecular weight of 2448.24 g/mol, XLogP of 27.07, 32 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline is sourced from PubChem (CID 157211950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).