5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid

C24H18Cl2F2N6O2 — CID 159753529

IUPAC5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid
SMILESFc1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1.Nc1ccc(Cl)nc1N.O=C(O)c1ccc(F)cc1
InChIInChI=1S/C12H7ClFN3.C7H5FO2.C5H6ClN3/c13-10-6-5-9-12(16-10)17-11(15-9)7-1-3-8(14)4-2-7;8-6-3-1-5(2-4-6)7(9)10;6-4-2-1-3(7)5(8)9-4/h1-6H,(H,15,16,17);1-4H,(H,9,10);1-2H,7H2,(H2,8,9)
InChIKeyNDYOFTMCXPANOA-UHFFFAOYSA-N
MW531.35 g/mol
LogP5.84
Rot. Bonds2

About 5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid

5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid (PubChem CID 159753529) has the molecular formula C24H18Cl2F2N6O2 and a molecular weight of 531.35 g/mol. Its IUPAC name is 5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid.

Molecular Properties

Compound Name5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid
PubChem CID159753529
Molecular FormulaC24H18Cl2F2N6O2
Molecular Weight531.35 g/mol
Exact Mass530.08
IUPAC Name5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid
SMILESFc1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1.Nc1ccc(Cl)nc1N.O=C(O)c1ccc(F)cc1
InChIInChI=1S/C12H7ClFN3.C7H5FO2.C5H6ClN3/c13-10-6-5-9-12(16-10)17-11(15-9)7-1-3-8(14)4-2-7;8-6-3-1-5(2-4-6)7(9)10;6-4-2-1-3(7)5(8)9-4/h1-6H,(H,15,16,17);1-4H,(H,9,10);1-2H,7H2,(H2,8,9)
InChIKeyNDYOFTMCXPANOA-UHFFFAOYSA-N
XLogP5.84
TPSA143.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.35
LogP ≤ 55.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium
CID 137254292
4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid
CID 155666200
2-(4-bromophenyl)-5-chloro-1H-imidazo[4,5-b]pyridine
CID 24904057
4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid
CID 167974159
2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821392
4-(6-amino-1H-benzimidazol-2-yl)benzoic acid;dihydrochloride
CID 17385553
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
2-(3,5-difluorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821482
5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90357310
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine
CID 135201262
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483707

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid?
The IUPAC name of 5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid (CID 159753529) is 5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid.
What is the SMILES notation for 5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid?
The canonical SMILES for 5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid is Fc1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1.Nc1ccc(Cl)nc1N.O=C(O)c1ccc(F)cc1.
What is the InChIKey of 5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid?
The InChIKey is NDYOFTMCXPANOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3.C7H5FO2.C5H6ClN3/c13-10-6-5-9-12(16-10)17-11(15-9)7-1-3-8(14)4-2-7;8-6-3-1-5(2-4-6)7(9)10;6-4-2-1-3(7)5(8)9-4/h1-6H,(H,15,16,17);1-4H,(H,9,10);1-2H,7H2,(H2,8,9).
What are the key properties of 5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid?
5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid has a molecular weight of 531.35 g/mol, XLogP of 5.84, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid is sourced from PubChem (CID 159753529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).