2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine

C18H20FN3 — CID 117165916

IUPAC2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine
SMILESCC(C)(C)Cc1nc2cccnc2n1Cc1ccccc1F
InChIInChI=1S/C18H20FN3/c1-18(2,3)11-16-21-15-9-6-10-20-17(15)22(16)12-13-7-4-5-8-14(13)19/h4-10H,11-12H2,1-3H3
InChIKeyHLGSLIAOGYITEH-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.21
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine

2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117165916) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine
PubChem CID117165916
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine
SMILESCC(C)(C)Cc1nc2cccnc2n1Cc1ccccc1F
InChIInChI=1S/C18H20FN3/c1-18(2,3)11-16-21-15-9-6-10-20-17(15)22(16)12-13-7-4-5-8-14(13)19/h4-10H,11-12H2,1-3H3
InChIKeyHLGSLIAOGYITEH-UHFFFAOYSA-N
XLogP4.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163416
3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161305
2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 117166070
3-[(2-chlorophenyl)methyl]-2-ethylimidazo[4,5-b]pyridine
CID 20777187
2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165030
3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162519
3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159959
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 117165326
2-[(4-tert-butylphenoxy)methyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 16998729
2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79289197
2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117165834
3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117159702

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine (CID 117165916) is 2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine is CC(C)(C)Cc1nc2cccnc2n1Cc1ccccc1F.
What is the InChIKey of 2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is HLGSLIAOGYITEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c1-18(2,3)11-16-21-15-9-6-10-20-17(15)22(16)12-13-7-4-5-8-14(13)19/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine?
2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 297.38 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).