5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine

C19H12ClN5 — CID 122654513

IUPAC5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine
SMILESClc1ccc2nc(-c3ccccc3)n(-c3ccc4[nH]ncc4c3)c2n1
InChIInChI=1S/C19H12ClN5/c20-17-9-8-16-19(23-17)25(18(22-16)12-4-2-1-3-5-12)14-6-7-15-13(10-14)11-21-24-15/h1-11H,(H,21,24)
InChIKeyQQBHXOFQBWVVNS-UHFFFAOYSA-N
MW345.79 g/mol
LogP4.62
Rot. Bonds2

About 5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine

5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine (PubChem CID 122654513) has the molecular formula C19H12ClN5 and a molecular weight of 345.79 g/mol. Its IUPAC name is 5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine
PubChem CID122654513
Molecular FormulaC19H12ClN5
Molecular Weight345.79 g/mol
Exact Mass345.08
IUPAC Name5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine
SMILESClc1ccc2nc(-c3ccccc3)n(-c3ccc4[nH]ncc4c3)c2n1
InChIInChI=1S/C19H12ClN5/c20-17-9-8-16-19(23-17)25(18(22-16)12-4-2-1-3-5-12)14-6-7-15-13(10-14)11-21-24-15/h1-11H,(H,21,24)
InChIKeyQQBHXOFQBWVVNS-UHFFFAOYSA-N
XLogP4.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-3-(1H-indazol-5-yl)-5-propan-2-ylimidazo[4,5-b]pyridine
CID 122654356
3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654519
2-(5-fluoro-2-pyridinyl)-3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654838
3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654554
5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine
CID 164826174
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline
CID 921658
[4-[5-(5-fluoro-2-pyridinyl)-2-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495415
ethane;5-methyl-1H-indazole
CID 178026047
3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline
CID 920331
5-(chloromethyl)-1H-indazole;hydrochloride
CID 72710304
4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole
CID 12778947

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine (CID 122654513) is 5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine is Clc1ccc2nc(-c3ccccc3)n(-c3ccc4[nH]ncc4c3)c2n1.
What is the InChIKey of 5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine?
The InChIKey is QQBHXOFQBWVVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5/c20-17-9-8-16-19(23-17)25(18(22-16)12-4-2-1-3-5-12)14-6-7-15-13(10-14)11-21-24-15/h1-11H,(H,21,24).
What are the key properties of 5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine?
5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine has a molecular weight of 345.79 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 122654513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).