4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C87H71F4N19S — CID 158815748

IUPAC4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)cn1.Fc1ccc(-c2ncn(CC3CCCCC3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3cccnc3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3cccs3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C23H23FN4.C22H16FN5.C21H17FN6.C21H15FN4S/c24-18-8-6-17(7-9-18)21-22(19-10-12-25-23-20(19)11-13-26-23)28(15-27-21)14-16-4-2-1-3-5-16;23-17-5-3-16(4-6-17)20-21(18-7-10-25-22-19(18)8-11-26-22)28(14-27-20)13-15-2-1-9-24-12-15;1-27-11-14(10-26-27)12-28-13-25-19(15-2-4-16(22)5-3-15)20(28)17-6-8-23-21-18(17)7-9-24-21;22-15-5-3-14(4-6-15)19-20(17-7-9-23-21-18(17)8-10-24-21)26(13-25-19)12-16-2-1-11-27-16/h6-13,15-16H,1-5,14H2,(H,25,26);1-12,14H,13H2,(H,25,26);2-11,13H,12H2,1H3,(H,23,24);1-11,13H,12H2,(H,23,24)
InChIKeyIVFZNRDQPDTVAS-UHFFFAOYSA-N
MW1490.72 g/mol
LogP19.85
Rot. Bonds16

About 4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158815748) has the molecular formula C87H71F4N19S and a molecular weight of 1490.72 g/mol. Its IUPAC name is 4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID158815748
Molecular FormulaC87H71F4N19S
Molecular Weight1490.72 g/mol
Exact Mass1489.58
IUPAC Name4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)cn1.Fc1ccc(-c2ncn(CC3CCCCC3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3cccnc3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3cccs3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C23H23FN4.C22H16FN5.C21H17FN6.C21H15FN4S/c24-18-8-6-17(7-9-18)21-22(19-10-12-25-23-20(19)11-13-26-23)28(15-27-21)14-16-4-2-1-3-5-16;23-17-5-3-16(4-6-17)20-21(18-7-10-25-22-19(18)8-11-26-22)28(14-27-20)13-15-2-1-9-24-12-15;1-27-11-14(10-26-27)12-28-13-25-19(15-2-4-16(22)5-3-15)20(28)17-6-8-23-21-18(17)7-9-24-21;22-15-5-3-14(4-6-15)19-20(17-7-9-23-21-18(17)8-10-24-21)26(13-25-19)12-16-2-1-11-27-16/h6-13,15-16H,1-5,14H2,(H,25,26);1-12,14H,13H2,(H,25,26);2-11,13H,12H2,1H3,(H,23,24);1-11,13H,12H2,(H,23,24)
InChIKeyIVFZNRDQPDTVAS-UHFFFAOYSA-N
XLogP19.85
TPSA216.71 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001490.72
LogP ≤ 519.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137143005
2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 136213908
4-(5-Methylthiophen-2-yl)-3-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 164620088
6-[3-(4-fluorophenyl)-1-trityl-1H-4-pyrazolyl]-3-[5-(2-pyridyl)-2-thienyl]imidazo[1,2-a]pyridine
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6-[3-(4-fluorophenyl)-1-trityl-1H-4-pyrazolyl]-3-(2-thienyl)imidazo[1,2-a]pyridine
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6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 68812518
6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]-3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 69157383
3-(5-Butylsulfanylthiophen-2-yl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine
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2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
2-fluoro-4-[6-[2-[(3-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-[2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]aniline
CID 132035489
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]pyrazolo[4,3-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
CID 135287079

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 158815748) is 4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is Cn1cc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)cn1.Fc1ccc(-c2ncn(CC3CCCCC3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3cccnc3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3cccs3)c2-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IVFZNRDQPDTVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4.C22H16FN5.C21H17FN6.C21H15FN4S/c24-18-8-6-17(7-9-18)21-22(19-10-12-25-23-20(19)11-13-26-23)28(15-27-21)14-16-4-2-1-3-5-16;23-17-5-3-16(4-6-17)20-21(18-7-10-25-22-19(18)8-11-26-22)28(14-27-20)13-15-2-1-9-24-12-15;1-27-11-14(10-26-27)12-28-13-25-19(15-2-4-16(22)5-3-15)20(28)17-6-8-23-21-18(17)7-9-24-21;22-15-5-3-14(4-6-15)19-20(17-7-9-23-21-18(17)8-10-24-21)26(13-25-19)12-16-2-1-11-27-16/h6-13,15-16H,1-5,14H2,(H,25,26);1-12,14H,13H2,(H,25,26);2-11,13H,12H2,1H3,(H,23,24);1-11,13H,12H2,(H,23,24).
What are the key properties of 4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1490.72 g/mol, XLogP of 19.85, 16 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(thiophen-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158815748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).