2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine

C137H102ClF9N23O2+ — CID 159353591

IUPAC2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine
SMILESCCOc1cc(Cc2cncc(-c3ccnc(-c4ccccc4F)c3)c2)ccn1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(C3C=N[N+](C4CCNCC4)=C3)c2)ccn1.Fc1ccccc1-c1cc(-c2cncc(-c3cnc4c(c3)C=C(C(F)(F)F)C4)c2)ccn1.Fc1ccccc1-c1cc(-c2cncc(-c3cnc4ccccc4c3)c2)ccn1.Fc1ccccc1-c1cc(-c2cncc(-n3cccn3)c2)ccn1.OCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)n2)cn1
InChIInChI=1S/C25H15F4N3.C25H16FN3.C24H22ClFN5.C24H20FN3O.C20H16FN5O.C19H13FN4/c26-22-4-2-1-3-21(22)24-10-15(5-6-31-24)17-8-18(13-30-12-17)19-7-16-9-20(25(27,28)29)11-23(16)32-14-19;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;1-2-29-24-13-17(7-9-28-24)11-18-12-20(16-26-15-18)19-8-10-27-23(14-19)21-5-3-4-6-22(21)25;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;20-18-5-2-1-4-17(18)19-11-14(6-8-22-19)15-10-16(13-21-12-15)24-9-3-7-23-24/h1-10,12-14H,11H2;1-16H;1-3,8-15,19,21,27H,4-7H2;3-10,12-16H,2,11H2,1H3;1-6,9-13,27H,7-8H2;1-13H/q;;+1;;;
InChIKeyLKYCQEZPEOATFE-UHFFFAOYSA-N
MW2308.92 g/mol
LogP29.87
Rot. Bonds24

About 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine

2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine (PubChem CID 159353591) has the molecular formula C137H102ClF9N23O2+ and a molecular weight of 2308.92 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-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine
PubChem CID159353591
Molecular FormulaC137H102ClF9N23O2+
Molecular Weight2308.92 g/mol
Exact Mass2306.81
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine
SMILESCCOc1cc(Cc2cncc(-c3ccnc(-c4ccccc4F)c3)c2)ccn1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(C3C=N[N+](C4CCNCC4)=C3)c2)ccn1.Fc1ccccc1-c1cc(-c2cncc(-c3cnc4c(c3)C=C(C(F)(F)F)C4)c2)ccn1.Fc1ccccc1-c1cc(-c2cncc(-c3cnc4ccccc4c3)c2)ccn1.Fc1ccccc1-c1cc(-c2cncc(-n3cccn3)c2)ccn1.OCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)n2)cn1
InChIInChI=1S/C25H15F4N3.C25H16FN3.C24H22ClFN5.C24H20FN3O.C20H16FN5O.C19H13FN4/c26-22-4-2-1-3-21(22)24-10-15(5-6-31-24)17-8-18(13-30-12-17)19-7-16-9-20(25(27,28)29)11-23(16)32-14-19;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;1-2-29-24-13-17(7-9-28-24)11-18-12-20(16-26-15-18)19-8-10-27-23(14-19)21-5-3-4-6-22(21)25;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;20-18-5-2-1-4-17(18)19-11-14(6-8-22-19)15-10-16(13-21-12-15)24-9-3-7-23-24/h1-10,12-14H,11H2;1-16H;1-3,8-15,19,21,27H,4-7H2;3-10,12-16H,2,11H2,1H3;1-6,9-13,27H,7-8H2;1-13H/q;;+1;;;
InChIKeyLKYCQEZPEOATFE-UHFFFAOYSA-N
XLogP29.87
TPSA298.74 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002308.92
LogP ≤ 529.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

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-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine with MolForge

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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-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine?
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-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine (CID 159353591) is 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine.
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-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine?
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-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine is CCOc1cc(Cc2cncc(-c3ccnc(-c4ccccc4F)c3)c2)ccn1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(C3C=N[N+](C4CCNCC4)=C3)c2)ccn1.Fc1ccccc1-c1cc(-c2cncc(-c3cnc4c(c3)C=C(C(F)(F)F)C4)c2)ccn1.Fc1ccccc1-c1cc(-c2cncc(-c3cnc4ccccc4c3)c2)ccn1.Fc1ccccc1-c1cc(-c2cncc(-n3cccn3)c2)ccn1.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-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine?
The InChIKey is LKYCQEZPEOATFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F4N3.C25H16FN3.C24H22ClFN5.C24H20FN3O.C20H16FN5O.C19H13FN4/c26-22-4-2-1-3-21(22)24-10-15(5-6-31-24)17-8-18(13-30-12-17)19-7-16-9-20(25(27,28)29)11-23(16)32-14-19;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;1-2-29-24-13-17(7-9-28-24)11-18-12-20(16-26-15-18)19-8-10-27-23(14-19)21-5-3-4-6-22(21)25;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;20-18-5-2-1-4-17(18)19-11-14(6-8-22-19)15-10-16(13-21-12-15)24-9-3-7-23-24/h1-10,12-14H,11H2;1-16H;1-3,8-15,19,21,27H,4-7H2;3-10,12-16H,2,11H2,1H3;1-6,9-13,27H,7-8H2;1-13H/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-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine?
2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-yl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]pyridine;2-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine has a molecular weight of 2308.92 g/mol, XLogP of 29.87, 24 rotatable bonds, 2 hydrogen bond donors, and 24 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-ethoxy-4-[[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine;2-(2-fluorophenyl)-4-(5-pyrazol-1-yl-3-pyridinyl)pyridine;2-[4-[6-[2-(2-fluorophenyl)-4-pyridinyl]pyrazin-2-yl]pyrazol-1-yl]ethanol;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]quinoline;3-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-(trifluoromethyl)-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 159353591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).