4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine

C44H27F2N11O2 — CID 159331989

IUPAC4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESFc1cnccc1-c1cc2[nH]c(-c3ccncc3)nc2nc1-c1cccnc1.O=C(O)c1ccc(-c2nc3nc(-c4cccnc4)c(-c4ccncc4F)cc3[nH]2)cc1
InChIInChI=1S/C23H14FN5O2.C21H13FN6/c24-18-12-26-9-7-16(18)17-10-19-22(28-20(17)15-2-1-8-25-11-15)29-21(27-19)13-3-5-14(6-4-13)23(30)31;22-17-12-25-9-5-15(17)16-10-18-21(27-19(16)14-2-1-6-24-11-14)28-20(26-18)13-3-7-23-8-4-13/h1-12H,(H,30,31)(H,27,28,29);1-12H,(H,26,27,28)
InChIKeyLFBMKUWULCFNHY-UHFFFAOYSA-N
MW779.77 g/mol
LogP8.87
Rot. Bonds7

About 4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine

4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 159331989) has the molecular formula C44H27F2N11O2 and a molecular weight of 779.77 g/mol. Its IUPAC name is 4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
PubChem CID159331989
Molecular FormulaC44H27F2N11O2
Molecular Weight779.77 g/mol
Exact Mass779.23
IUPAC Name4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESFc1cnccc1-c1cc2[nH]c(-c3ccncc3)nc2nc1-c1cccnc1.O=C(O)c1ccc(-c2nc3nc(-c4cccnc4)c(-c4ccncc4F)cc3[nH]2)cc1
InChIInChI=1S/C23H14FN5O2.C21H13FN6/c24-18-12-26-9-7-16(18)17-10-19-22(28-20(17)15-2-1-8-25-11-15)29-21(27-19)13-3-5-14(6-4-13)23(30)31;22-17-12-25-9-5-15(17)16-10-18-21(27-19(16)14-2-1-6-24-11-14)28-20(26-18)13-3-7-23-8-4-13/h1-12H,(H,30,31)(H,27,28,29);1-12H,(H,26,27,28)
InChIKeyLFBMKUWULCFNHY-UHFFFAOYSA-N
XLogP8.87
TPSA184.89 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.77
LogP ≤ 58.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carboxylic Acid
CID 58266559
4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 11057468
4-[[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]amino]methyl]benzoic acid
CID 71730102
US10087188, Example 26
CID 121455605
4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 44529972
4-[5-[6-(3-aminopropanoylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 44530160
2-cyclopentyl-4-(1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid
CID 164619178
2-cyclopentyl-4-(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid
CID 164619389
4-[4-(4-Fluorophenyl)-5-(2-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 9863630
US10087188, Example 25
CID 121455658
US10087188, Example 29
CID 121455807
US10087188, Example 27
CID 121455844

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine (CID 159331989) is 4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine is Fc1cnccc1-c1cc2[nH]c(-c3ccncc3)nc2nc1-c1cccnc1.O=C(O)c1ccc(-c2nc3nc(-c4cccnc4)c(-c4ccncc4F)cc3[nH]2)cc1.
What is the InChIKey of 4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is LFBMKUWULCFNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN5O2.C21H13FN6/c24-18-12-26-9-7-16(18)17-10-19-22(28-20(17)15-2-1-8-25-11-15)29-21(27-19)13-3-5-14(6-4-13)23(30)31;22-17-12-25-9-5-15(17)16-10-18-21(27-19(16)14-2-1-6-24-11-14)28-20(26-18)13-3-7-23-8-4-13/h1-12H,(H,30,31)(H,27,28,29);1-12H,(H,26,27,28).
What are the key properties of 4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 779.77 g/mol, XLogP of 8.87, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid;6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 159331989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).