3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine

C19H18FN5 — CID 167793948

IUPAC3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine
SMILESCC(C)n1ncc(-c2nc3cccnc3n2Cc2ccccc2)c1F
InChIInChI=1S/C19H18FN5/c1-13(2)25-17(20)15(11-22-25)18-23-16-9-6-10-21-19(16)24(18)12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3
InChIKeyRXVYURBBCJTSQB-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.06
Rot. Bonds4

About 3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine

3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine (PubChem CID 167793948) has the molecular formula C19H18FN5 and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine
PubChem CID167793948
Molecular FormulaC19H18FN5
Molecular Weight335.39 g/mol
Exact Mass335.15
IUPAC Name3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine
SMILESCC(C)n1ncc(-c2nc3cccnc3n2Cc2ccccc2)c1F
InChIInChI=1S/C19H18FN5/c1-13(2)25-17(20)15(11-22-25)18-23-16-9-6-10-21-19(16)24(18)12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3
InChIKeyRXVYURBBCJTSQB-UHFFFAOYSA-N
XLogP4.06
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzylimidazo[4,5-b]pyridin-2-amine
CID 79289249
3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165937
2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79289928
3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164845
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide
CID 53020555
3-[(3-fluorophenyl)methyl]-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164729
3-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159967
3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164454
2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117164482
2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294675
3-[(3-methylphenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165886
2-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 67943976

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine (CID 167793948) is 3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine is CC(C)n1ncc(-c2nc3cccnc3n2Cc2ccccc2)c1F.
What is the InChIKey of 3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine?
The InChIKey is RXVYURBBCJTSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5/c1-13(2)25-17(20)15(11-22-25)18-23-16-9-6-10-21-19(16)24(18)12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine?
3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine has a molecular weight of 335.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 167793948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).