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

C17H18FN3 — CID 117165937

IUPAC3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cc1nc2cccnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C17H18FN3/c1-12(2)10-16-20-15-4-3-9-19-17(15)21(16)11-13-5-7-14(18)8-6-13/h3-9,12H,10-11H2,1-2H3
InChIKeyNKDRCQWRPMSOAQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.82
Rot. Bonds4

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

3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine (PubChem CID 117165937) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
PubChem CID117165937
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cc1nc2cccnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C17H18FN3/c1-12(2)10-16-20-15-4-3-9-19-17(15)21(16)11-13-5-7-14(18)8-6-13/h3-9,12H,10-11H2,1-2H3
InChIKeyNKDRCQWRPMSOAQ-UHFFFAOYSA-N
XLogP3.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159967
3-[(3-methylphenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165886
1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate
CID 175151607
3-ethyl-2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165475
[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate
CID 160899091
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916
3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
CID 19829965
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-propylbenzenesulfonamide
CID 53021069
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-nitrobenzamide
CID 53022362
4-[[2-(2-hydroxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117159969
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide
CID 53022404
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-piperidin-1-ylbutan-1-one
CID 46360225

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine (CID 117165937) is 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine is CC(C)Cc1nc2cccnc2n1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is NKDRCQWRPMSOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-12(2)10-16-20-15-4-3-9-19-17(15)21(16)11-13-5-7-14(18)8-6-13/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine?
3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 283.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).