1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine

C89H79F2N19O5 — CID 158801102

IUPAC1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine
SMILESCN(C)C(=O)COc1ccccc1-c1cc(-c2cccc(F)c2)n[nH]1.CN(C)C(=O)COc1ccccc1-c1cc(-c2cccnc2)n[nH]1.COc1ccccc1-c1cc(-c2cccnc2)n[nH]1.Fc1cccc(-c2cc(-c3nccn3Cc3ccccc3)[nH]n2)c1.c1ccc(Cn2ccnc2-c2cc(-c3cccnc3)n[nH]2)cc1
InChIInChI=1S/C19H15FN4.C19H18FN3O2.C18H15N5.C18H18N4O2.C15H13N3O/c20-16-8-4-7-15(11-16)17-12-18(23-22-17)19-21-9-10-24(19)13-14-5-2-1-3-6-14;1-23(2)19(24)12-25-18-9-4-3-8-15(18)17-11-16(21-22-17)13-6-5-7-14(20)10-13;1-2-5-14(6-3-1)13-23-10-9-20-18(23)17-11-16(21-22-17)15-7-4-8-19-12-15;1-22(2)18(23)12-24-17-8-4-3-7-14(17)16-10-15(20-21-16)13-6-5-9-19-11-13;1-19-15-7-3-2-6-12(15)14-9-13(17-18-14)11-5-4-8-16-10-11/h1-12H,13H2,(H,22,23);3-11H,12H2,1-2H3,(H,21,22);1-12H,13H2,(H,21,22);3-11H,12H2,1-2H3,(H,20,21);2-10H,1H3,(H,17,18)
InChIKeyITMMVLVIZHADPF-UHFFFAOYSA-N
MW1532.73 g/mol
LogP16.61
Rot. Bonds21

About 1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine

1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 158801102) has the molecular formula C89H79F2N19O5 and a molecular weight of 1532.73 g/mol. Its IUPAC name is 1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine
PubChem CID158801102
Molecular FormulaC89H79F2N19O5
Molecular Weight1532.73 g/mol
Exact Mass1531.65
IUPAC Name1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine
SMILESCN(C)C(=O)COc1ccccc1-c1cc(-c2cccc(F)c2)n[nH]1.CN(C)C(=O)COc1ccccc1-c1cc(-c2cccnc2)n[nH]1.COc1ccccc1-c1cc(-c2cccnc2)n[nH]1.Fc1cccc(-c2cc(-c3nccn3Cc3ccccc3)[nH]n2)c1.c1ccc(Cn2ccnc2-c2cc(-c3cccnc3)n[nH]2)cc1
InChIInChI=1S/C19H15FN4.C19H18FN3O2.C18H15N5.C18H18N4O2.C15H13N3O/c20-16-8-4-7-15(11-16)17-12-18(23-22-17)19-21-9-10-24(19)13-14-5-2-1-3-6-14;1-23(2)19(24)12-25-18-9-4-3-8-15(18)17-11-16(21-22-17)13-6-5-7-14(20)10-13;1-2-5-14(6-3-1)13-23-10-9-20-18(23)17-11-16(21-22-17)15-7-4-8-19-12-15;1-22(2)18(23)12-24-17-8-4-3-7-14(17)16-10-15(20-21-16)13-6-5-9-19-11-13;1-19-15-7-3-2-6-12(15)14-9-13(17-18-14)11-5-4-8-16-10-11/h1-12H,13H2,(H,22,23);3-11H,12H2,1-2H3,(H,21,22);1-12H,13H2,(H,21,22);3-11H,12H2,1-2H3,(H,20,21);2-10H,1H3,(H,17,18)
InChIKeyITMMVLVIZHADPF-UHFFFAOYSA-N
XLogP16.61
TPSA286.02 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001532.73
LogP ≤ 516.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine with MolForge

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Related Compounds

N-[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137142996
1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(1-phenylpropyl)imidazolidin-2-one;1-(3-methoxy-4-pyridin-4-ylphenyl)-3-(pyridin-4-ylmethyl)imidazolidin-2-one;4-[2-methoxy-4-[3-[[2-(trifluoromethyl)phenyl]methyl]imidazol-3-ium-1-yl]phenyl]pyridine
CID 118239117
N-ethyl-2-[4-[[4-(4-ethylphenyl)-1-[[4-[[4-[4-[2-[4-[[4-(3-fluoro-4-propoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]morpholin-3-yl]-6-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]methyl]-5-methylpyrimidin-1-ium-2-yl]amino]pyrazol-1-yl]acetamide
CID 123292907
1-[3-[2-[[1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-6-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-4-yl]-4-methylpiperazin-1-yl]-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1-[[4-[[5-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]methyl]pyrimidin-1-ium-2-yl]amino]pyrazol-1-yl]ethanone
CID 123374972
N-[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 136937402
N-[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 136937408
N-[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136937572
N-[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
CID 136937717
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
CID 136944562
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 136944565
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136944568
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136944574

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine (CID 158801102) is 1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine is CN(C)C(=O)COc1ccccc1-c1cc(-c2cccc(F)c2)n[nH]1.CN(C)C(=O)COc1ccccc1-c1cc(-c2cccnc2)n[nH]1.COc1ccccc1-c1cc(-c2cccnc2)n[nH]1.Fc1cccc(-c2cc(-c3nccn3Cc3ccccc3)[nH]n2)c1.c1ccc(Cn2ccnc2-c2cc(-c3cccnc3)n[nH]2)cc1.
What is the InChIKey of 1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is ITMMVLVIZHADPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4.C19H18FN3O2.C18H15N5.C18H18N4O2.C15H13N3O/c20-16-8-4-7-15(11-16)17-12-18(23-22-17)19-21-9-10-24(19)13-14-5-2-1-3-6-14;1-23(2)19(24)12-25-18-9-4-3-8-15(18)17-11-16(21-22-17)13-6-5-7-14(20)10-13;1-2-5-14(6-3-1)13-23-10-9-20-18(23)17-11-16(21-22-17)15-7-4-8-19-12-15;1-22(2)18(23)12-24-17-8-4-3-7-14(17)16-10-15(20-21-16)13-6-5-9-19-11-13;1-19-15-7-3-2-6-12(15)14-9-13(17-18-14)11-5-4-8-16-10-11/h1-12H,13H2,(H,22,23);3-11H,12H2,1-2H3,(H,21,22);1-12H,13H2,(H,21,22);3-11H,12H2,1-2H3,(H,20,21);2-10H,1H3,(H,17,18).
What are the key properties of 1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine?
1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 1532.73 g/mol, XLogP of 16.61, 21 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]imidazole;3-[5-(1-benzylimidazol-2-yl)-1H-pyrazol-3-yl]pyridine;N,N-dimethyl-2-[2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenoxy]acetamide;2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylacetamide;3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 158801102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).