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

C45H25F5N10O2 — CID 158145959

IUPAC6-(3,5-difluoro-4-pyridinyl)-2-(4-fluorophenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid
SMILESFc1ccc(-c2nc3nc(-c4cccnc4)c(-c4c(F)cncc4F)cc3[nH]2)cc1.O=C(O)c1ccc(-c2nc3nc(-c4cccnc4)c(-c4c(F)cncc4F)cc3[nH]2)cc1
InChIInChI=1S/C23H13F2N5O2.C22H12F3N5/c24-16-10-27-11-17(25)19(16)15-8-18-22(29-20(15)14-2-1-7-26-9-14)30-21(28-18)12-3-5-13(6-4-12)23(31)32;23-14-5-3-12(4-6-14)21-28-18-8-15(19-16(24)10-27-11-17(19)25)20(29-22(18)30-21)13-2-1-7-26-9-13/h1-11H,(H,31,32)(H,28,29,30);1-11H,(H,28,29,30)
InChIKeyFUNCKMRRMDSPIY-UHFFFAOYSA-N
MW832.75 g/mol
LogP9.89
Rot. Bonds7

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

6-(3,5-difluoro-4-pyridinyl)-2-(4-fluorophenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid (PubChem CID 158145959) has the molecular formula C45H25F5N10O2 and a molecular weight of 832.75 g/mol. Its IUPAC name is 6-(3,5-difluoro-4-pyridinyl)-2-(4-fluorophenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid.

Molecular Properties

Compound Name6-(3,5-difluoro-4-pyridinyl)-2-(4-fluorophenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid
PubChem CID158145959
Molecular FormulaC45H25F5N10O2
Molecular Weight832.75 g/mol
Exact Mass832.21
IUPAC Name6-(3,5-difluoro-4-pyridinyl)-2-(4-fluorophenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid
SMILESFc1ccc(-c2nc3nc(-c4cccnc4)c(-c4c(F)cncc4F)cc3[nH]2)cc1.O=C(O)c1ccc(-c2nc3nc(-c4cccnc4)c(-c4c(F)cncc4F)cc3[nH]2)cc1
InChIInChI=1S/C23H13F2N5O2.C22H12F3N5/c24-16-10-27-11-17(25)19(16)15-8-18-22(29-20(15)14-2-1-7-26-9-14)30-21(28-18)12-3-5-13(6-4-12)23(31)32;23-14-5-3-12(4-6-14)21-28-18-8-15(19-16(24)10-27-11-17(19)25)20(29-22(18)30-21)13-2-1-7-26-9-13/h1-11H,(H,31,32)(H,28,29,30);1-11H,(H,28,29,30)
InChIKeyFUNCKMRRMDSPIY-UHFFFAOYSA-N
XLogP9.89
TPSA172.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.75
LogP ≤ 59.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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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
US10087188, Example 24
CID 121455749
4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 44529972
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
2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 58073935
4-[4-Amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]benzoic acid
CID 117704695
US10087188, Example 25
CID 121455658

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluoro-4-pyridinyl)-2-(4-fluorophenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid?
The IUPAC name of 6-(3,5-difluoro-4-pyridinyl)-2-(4-fluorophenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid (CID 158145959) is 6-(3,5-difluoro-4-pyridinyl)-2-(4-fluorophenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid.
What is the SMILES notation for 6-(3,5-difluoro-4-pyridinyl)-2-(4-fluorophenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid?
The canonical SMILES for 6-(3,5-difluoro-4-pyridinyl)-2-(4-fluorophenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid is Fc1ccc(-c2nc3nc(-c4cccnc4)c(-c4c(F)cncc4F)cc3[nH]2)cc1.O=C(O)c1ccc(-c2nc3nc(-c4cccnc4)c(-c4c(F)cncc4F)cc3[nH]2)cc1.
What is the InChIKey of 6-(3,5-difluoro-4-pyridinyl)-2-(4-fluorophenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid?
The InChIKey is FUNCKMRRMDSPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F2N5O2.C22H12F3N5/c24-16-10-27-11-17(25)19(16)15-8-18-22(29-20(15)14-2-1-7-26-9-14)30-21(28-18)12-3-5-13(6-4-12)23(31)32;23-14-5-3-12(4-6-14)21-28-18-8-15(19-16(24)10-27-11-17(19)25)20(29-22(18)30-21)13-2-1-7-26-9-13/h1-11H,(H,31,32)(H,28,29,30);1-11H,(H,28,29,30).
What are the key properties of 6-(3,5-difluoro-4-pyridinyl)-2-(4-fluorophenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid?
6-(3,5-difluoro-4-pyridinyl)-2-(4-fluorophenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid has a molecular weight of 832.75 g/mol, XLogP of 9.89, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluoro-4-pyridinyl)-2-(4-fluorophenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid is sourced from PubChem (CID 158145959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).