5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine

C105H85F4N17O — CID 158968704

IUPAC5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ncccc2-c2cc(C(=O)N(C)C)c3[nH]ncc3c2)ccc1F.Cn1cnc2cc(-c3cccnc3-c3cccc(C4CC4)c3)ccc21.Cn1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc21.FC(F)(F)c1cccc(-c2ncccc2-c2ccc3nccn3c2)c1.c1cc(-c2ncccc2-c2ccc3ncnn3c2)cc(C2CC2)c1
InChIInChI=1S/C22H19FN4O.2C22H19N3.C20H16N4.C19H12F3N3/c1-13-9-14(6-7-19(13)23)20-17(5-4-8-24-20)15-10-16-12-25-26-21(16)18(11-15)22(28)27(2)3;1-25-14-24-20-13-17(9-10-21(20)25)19-6-3-11-23-22(19)18-5-2-4-16(12-18)15-7-8-15;1-25-14-24-20-10-9-17(13-21(20)25)19-6-3-11-23-22(19)18-5-2-4-16(12-18)15-7-8-15;1-3-15(14-6-7-14)11-16(4-1)20-18(5-2-10-21-20)17-8-9-19-22-13-23-24(19)12-17;20-19(21,22)15-4-1-3-13(11-15)18-16(5-2-8-24-18)14-6-7-17-23-9-10-25(17)12-14/h4-12H,1-3H3,(H,25,26);2*2-6,9-15H,7-8H2,1H3;1-5,8-14H,6-7H2;1-12H
InChIKeyJNNMMZITIWDDLY-UHFFFAOYSA-N
MW1676.94 g/mol
LogP24.22
Rot. Bonds14

About 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine

5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 158968704) has the molecular formula C105H85F4N17O and a molecular weight of 1676.94 g/mol. Its IUPAC name is 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine
PubChem CID158968704
Molecular FormulaC105H85F4N17O
Molecular Weight1676.94 g/mol
Exact Mass1675.71
IUPAC Name5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ncccc2-c2cc(C(=O)N(C)C)c3[nH]ncc3c2)ccc1F.Cn1cnc2cc(-c3cccnc3-c3cccc(C4CC4)c3)ccc21.Cn1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc21.FC(F)(F)c1cccc(-c2ncccc2-c2ccc3nccn3c2)c1.c1cc(-c2ncccc2-c2ccc3ncnn3c2)cc(C2CC2)c1
InChIInChI=1S/C22H19FN4O.2C22H19N3.C20H16N4.C19H12F3N3/c1-13-9-14(6-7-19(13)23)20-17(5-4-8-24-20)15-10-16-12-25-26-21(16)18(11-15)22(28)27(2)3;1-25-14-24-20-13-17(9-10-21(20)25)19-6-3-11-23-22(19)18-5-2-4-16(12-18)15-7-8-15;1-25-14-24-20-10-9-17(13-21(20)25)19-6-3-11-23-22(19)18-5-2-4-16(12-18)15-7-8-15;1-3-15(14-6-7-14)11-16(4-1)20-18(5-2-10-21-20)17-8-9-19-22-13-23-24(19)12-17;20-19(21,22)15-4-1-3-13(11-15)18-16(5-2-8-24-18)14-6-7-17-23-9-10-25(17)12-14/h4-12H,1-3H3,(H,25,26);2*2-6,9-15H,7-8H2,1H3;1-5,8-14H,6-7H2;1-12H
InChIKeyJNNMMZITIWDDLY-UHFFFAOYSA-N
XLogP24.22
TPSA196.57 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001676.94
LogP ≤ 524.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

US12473304, Example 323
CID 156828976
2-[[4-[3-[2-[[6-[3-[2-[(4-Amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl]-2-methylanilino]purin-9-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl]-4-fluoroanilino]-3-cyclopropylpyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 132146131
5-[7-(difluoromethyl)-3-[1-[5-[7-(difluoromethyl)-3-[1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]ethyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]ethyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide
CID 132181501
N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136619711
N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[5,4-b]pyridin-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136631207
[6-[5-[4-[1-[2-[[2-[2-(3,3-difluoroazetidine-1-carbonyl)imidazo[1,2-a]pyridin-7-yl]pyrimidin-4-yl]amino]-5-(1H-pyrazol-4-yl)phenyl]pyrazol-4-yl]anilino]-1,2,4-triazin-3-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 137387443
2-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,5-dimethylpyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 138655261
N-[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 144667648
5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl-[6-[[5-fluoro-4-[8-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbonyl]-3,8-diazabicyclo[3.2.1]octan-2-yl]-6-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone
CID 145006836
N-[5-[4-fluoro-7-[1-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-3-yl]-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145033350
N-[5-[4-fluoro-7-[1-[2-[4-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-3-yl]-3-(4-piperidin-1-yl-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145034165
N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]pyridin-3-yl]cyclohexanecarboxamide
CID 145034647

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine (CID 158968704) is 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine is Cc1cc(-c2ncccc2-c2cc(C(=O)N(C)C)c3[nH]ncc3c2)ccc1F.Cn1cnc2cc(-c3cccnc3-c3cccc(C4CC4)c3)ccc21.Cn1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc21.FC(F)(F)c1cccc(-c2ncccc2-c2ccc3nccn3c2)c1.c1cc(-c2ncccc2-c2ccc3ncnn3c2)cc(C2CC2)c1.
What is the InChIKey of 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine?
The InChIKey is JNNMMZITIWDDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O.2C22H19N3.C20H16N4.C19H12F3N3/c1-13-9-14(6-7-19(13)23)20-17(5-4-8-24-20)15-10-16-12-25-26-21(16)18(11-15)22(28)27(2)3;1-25-14-24-20-13-17(9-10-21(20)25)19-6-3-11-23-22(19)18-5-2-4-16(12-18)15-7-8-15;1-25-14-24-20-10-9-17(13-21(20)25)19-6-3-11-23-22(19)18-5-2-4-16(12-18)15-7-8-15;1-3-15(14-6-7-14)11-16(4-1)20-18(5-2-10-21-20)17-8-9-19-22-13-23-24(19)12-17;20-19(21,22)15-4-1-3-13(11-15)18-16(5-2-8-24-18)14-6-7-17-23-9-10-25(17)12-14/h4-12H,1-3H3,(H,25,26);2*2-6,9-15H,7-8H2,1H3;1-5,8-14H,6-7H2;1-12H.
What are the key properties of 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine?
5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 1676.94 g/mol, XLogP of 24.22, 14 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 158968704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).