4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C22H16FN5 — CID 139552918

IUPAC4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2ncn(Cc3ccccc3)c2-c2ccnc3[nH]ccc23)nc1
InChIInChI=1S/C22H16FN5/c23-16-6-7-19(26-12-16)20-21(17-8-10-24-22-18(17)9-11-25-22)28(14-27-20)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,24,25)
InChIKeyDBTMEQBUEKNOJP-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.68
Rot. Bonds4

About 4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 139552918) has the molecular formula C22H16FN5 and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID139552918
Molecular FormulaC22H16FN5
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC Name4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2ncn(Cc3ccccc3)c2-c2ccnc3[nH]ccc23)nc1
InChIInChI=1S/C22H16FN5/c23-16-6-7-19(26-12-16)20-21(17-8-10-24-22-18(17)9-11-25-22)28(14-27-20)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,24,25)
InChIKeyDBTMEQBUEKNOJP-UHFFFAOYSA-N
XLogP4.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552430
4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-thiazole
CID 139552395
4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552353
4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552543
5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole
CID 139553745
4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552481
4-[2-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162760574
4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 166991085
4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 139553377
4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 158274704
4-[1-methyl-3-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162760917
3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 50975114

Frequently Asked Questions

What is the IUPAC name of 4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 139552918) is 4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(-c2ncn(Cc3ccccc3)c2-c2ccnc3[nH]ccc23)nc1.
What is the InChIKey of 4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DBTMEQBUEKNOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5/c23-16-6-7-19(26-12-16)20-21(17-8-10-24-22-18(17)9-11-25-22)28(14-27-20)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,24,25).
What are the key properties of 4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 369.40 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 139552918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).