4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C22H16FN5 — CID 139552430

IUPAC4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2ncn(Cc3ccccn3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C22H16FN5/c23-16-6-4-15(5-7-16)20-21(18-8-11-25-22-19(18)9-12-26-22)28(14-27-20)13-17-3-1-2-10-24-17/h1-12,14H,13H2,(H,25,26)
InChIKeyWIXRDWNUZSNGCG-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.68
Rot. Bonds4

About 4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 139552430) has the molecular formula C22H16FN5 and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID139552430
Molecular FormulaC22H16FN5
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC Name4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2ncn(Cc3ccccn3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C22H16FN5/c23-16-6-4-15(5-7-16)20-21(18-8-11-25-22-19(18)9-12-26-22)28(14-27-20)13-17-3-1-2-10-24-17/h1-12,14H,13H2,(H,25,26)
InChIKeyWIXRDWNUZSNGCG-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

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Related Compounds

4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552543
4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552353
4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-thiazole
CID 139552395
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-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552918
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
N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide
CID 139552341
3-(dimethylamino)-1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one
CID 139552383
1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide
CID 175714717
2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327849

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 139552430) is 4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(-c2ncn(Cc3ccccn3)c2-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WIXRDWNUZSNGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5/c23-16-6-4-15(5-7-16)20-21(18-8-11-25-22-19(18)9-12-26-22)28(14-27-20)13-17-3-1-2-10-24-17/h1-12,14H,13H2,(H,25,26).
What are the key properties of 4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)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-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 139552430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).