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

C21H16FN5O — CID 139552435

IUPAC4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)co1
InChIInChI=1S/C21H16FN5O/c1-13-26-16(11-28-13)10-27-12-25-19(14-2-4-15(22)5-3-14)20(27)17-6-8-23-21-18(17)7-9-24-21/h2-9,11-12H,10H2,1H3,(H,23,24)
InChIKeyDMRXCDKXIOLLGX-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.58
Rot. Bonds4

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

4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 139552435) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID139552435
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)co1
InChIInChI=1S/C21H16FN5O/c1-13-26-16(11-28-13)10-27-12-25-19(14-2-4-15(22)5-3-14)20(27)17-6-8-23-21-18(17)7-9-24-21/h2-9,11-12H,10H2,1H3,(H,23,24)
InChIKeyDMRXCDKXIOLLGX-UHFFFAOYSA-N
XLogP4.58
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole (CID 139552435) is 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1nc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)co1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is DMRXCDKXIOLLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c1-13-26-16(11-28-13)10-27-12-25-19(14-2-4-15(22)5-3-14)20(27)17-6-8-23-21-18(17)7-9-24-21/h2-9,11-12H,10H2,1H3,(H,23,24).
What are the key properties of 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole?
4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 373.39 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 139552435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).