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

C112H96ClF9N22O3 — CID 157217318

IUPAC3-[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
SMILESCN(C)CCCn1cc(-c2cncc(-c3ccnc(-c4cc(Cl)ccc4F)c3)c2)cn1.CN(C)CCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)c2)cn1.OCCn1cc(-c2cncc(-c3ccnc(-c4cc(C(F)(F)F)ccc4F)c3)c2)cn1.OCCn1cc(-c2cncc(-c3ccnc(-c4cc(F)ccc4F)c3)c2)cn1.OCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)c2)cn1
InChIInChI=1S/C24H23ClFN5.C24H24FN5.C22H16F4N4O.C21H16F2N4O.C21H17FN4O/c1-30(2)8-3-9-31-16-20(15-29-31)19-10-18(13-27-14-19)17-6-7-28-24(11-17)22-12-21(25)4-5-23(22)26;1-29(2)10-5-11-30-17-21(16-28-30)20-12-19(14-26-15-20)18-8-9-27-24(13-18)22-6-3-4-7-23(22)25;23-20-2-1-18(22(24,25)26)9-19(20)21-8-14(3-4-28-21)15-7-16(11-27-10-15)17-12-29-30(13-17)5-6-31;22-18-1-2-20(23)19(9-18)21-8-14(3-4-25-21)15-7-16(11-24-10-15)17-12-26-27(13-17)5-6-28;22-20-4-2-1-3-19(20)21-10-15(5-6-24-21)16-9-17(12-23-11-16)18-13-25-26(14-18)7-8-27/h4-7,10-16H,3,8-9H2,1-2H3;3-4,6-9,12-17H,5,10-11H2,1-2H3;1-4,7-13,31H,5-6H2;1-4,7-13,28H,5-6H2;1-6,9-14,27H,7-8H2
InChIKeyASOMMHBUQNOGLB-UHFFFAOYSA-N
MW2004.59 g/mol
LogP22.76
Rot. Bonds29

About 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

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 (PubChem CID 157217318) has the molecular formula C112H96ClF9N22O3 and a molecular weight of 2004.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID157217318
Molecular FormulaC112H96ClF9N22O3
Molecular Weight2004.59 g/mol
Exact Mass2002.76
IUPAC Name3-[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
SMILESCN(C)CCCn1cc(-c2cncc(-c3ccnc(-c4cc(Cl)ccc4F)c3)c2)cn1.CN(C)CCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)c2)cn1.OCCn1cc(-c2cncc(-c3ccnc(-c4cc(C(F)(F)F)ccc4F)c3)c2)cn1.OCCn1cc(-c2cncc(-c3ccnc(-c4cc(F)ccc4F)c3)c2)cn1.OCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)c2)cn1
InChIInChI=1S/C24H23ClFN5.C24H24FN5.C22H16F4N4O.C21H16F2N4O.C21H17FN4O/c1-30(2)8-3-9-31-16-20(15-29-31)19-10-18(13-27-14-19)17-6-7-28-24(11-17)22-12-21(25)4-5-23(22)26;1-29(2)10-5-11-30-17-21(16-28-30)20-12-19(14-26-15-20)18-8-9-27-24(13-18)22-6-3-4-7-23(22)25;23-20-2-1-18(22(24,25)26)9-19(20)21-8-14(3-4-28-21)15-7-16(11-27-10-15)17-12-29-30(13-17)5-6-31;22-18-1-2-20(23)19(9-18)21-8-14(3-4-25-21)15-7-16(11-24-10-15)17-12-26-27(13-17)5-6-28;22-20-4-2-1-3-19(20)21-10-15(5-6-24-21)16-9-17(12-23-11-16)18-13-25-26(14-18)7-8-27/h4-7,10-16H,3,8-9H2,1-2H3;3-4,6-9,12-17H,5,10-11H2,1-2H3;1-4,7-13,31H,5-6H2;1-4,7-13,28H,5-6H2;1-6,9-14,27H,7-8H2
InChIKeyASOMMHBUQNOGLB-UHFFFAOYSA-N
XLogP22.76
TPSA285.17 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002004.59
LogP ≤ 522.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
6-Chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine;6-chloro-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine;6-chloro-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine
CID 159482111
4-(3-Tert-butyl-5-chlorophenyl)-1-methylpyrazole;4-(3-tert-butyl-2,6-difluorophenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;4-(3-tert-butylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 159940796
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
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
2-[[2-Amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine
CID 157874397
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-(3-Chlorophenyl)-6-[dideuterio-(1-methylpyrazol-4-yl)methyl]-3-methylpyridine;6-[dideuterio-(1-methylpyrazol-4-yl)methyl]-2-(3-fluoro-5-nitrophenyl)-3-methylpyridine;6-[dideuterio-(1-methylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-3-methylpyridine;6-[dideuterio-(1-methylpyrazol-4-yl)methyl]-3-methyl-2-(3-nitrophenyl)pyridine;3-[6-[dideuterio-(1-methylpyrazol-4-yl)methyl]-3-methyl-2-pyridinyl]benzonitrile
CID 159598546
5-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine
CID 159895334
2-(5-Chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-[4-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanol
CID 160573169

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CCCn1cc(-c2cncc(-c3ccnc(-c4cc(Cl)ccc4F)c3)c2)cn1.CN(C)CCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)c2)cn1.OCCn1cc(-c2cncc(-c3ccnc(-c4cc(C(F)(F)F)ccc4F)c3)c2)cn1.OCCn1cc(-c2cncc(-c3ccnc(-c4cc(F)ccc4F)c3)c2)cn1.OCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)c2)cn1.
What is the InChIKey of 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?
The InChIKey is ASOMMHBUQNOGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5.C24H24FN5.C22H16F4N4O.C21H16F2N4O.C21H17FN4O/c1-30(2)8-3-9-31-16-20(15-29-31)19-10-18(13-27-14-19)17-6-7-28-24(11-17)22-12-21(25)4-5-23(22)26;1-29(2)10-5-11-30-17-21(16-28-30)20-12-19(14-26-15-20)18-8-9-27-24(13-18)22-6-3-4-7-23(22)25;23-20-2-1-18(22(24,25)26)9-19(20)21-8-14(3-4-28-21)15-7-16(11-27-10-15)17-12-29-30(13-17)5-6-31;22-18-1-2-20(23)19(9-18)21-8-14(3-4-25-21)15-7-16(11-24-10-15)17-12-26-27(13-17)5-6-28;22-20-4-2-1-3-19(20)21-10-15(5-6-24-21)16-9-17(12-23-11-16)18-13-25-26(14-18)7-8-27/h4-7,10-16H,3,8-9H2,1-2H3;3-4,6-9,12-17H,5,10-11H2,1-2H3;1-4,7-13,31H,5-6H2;1-4,7-13,28H,5-6H2;1-6,9-14,27H,7-8H2.
What are the key properties of 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?
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 has a molecular weight of 2004.59 g/mol, XLogP of 22.76, 29 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157217318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).