1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine

C19H21FN4 — CID 14013355

IUPAC1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(Cn2c(CC3CCNCC3)nc3ncccc32)cc1
InChIInChI=1S/C19H21FN4/c20-16-5-3-15(4-6-16)13-24-17-2-1-9-22-19(17)23-18(24)12-14-7-10-21-11-8-14/h1-6,9,14,21H,7-8,10-13H2
InChIKeyIYRBOISAFWRDLR-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.16
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine

1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 14013355) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID14013355
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(Cn2c(CC3CCNCC3)nc3ncccc32)cc1
InChIInChI=1S/C19H21FN4/c20-16-5-3-15(4-6-16)13-24-17-2-1-9-22-19(17)23-18(24)12-14-7-10-21-11-8-14/h1-6,9,14,21H,7-8,10-13H2
InChIKeyIYRBOISAFWRDLR-UHFFFAOYSA-N
XLogP3.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pentakis(N-[2-[4-[[1-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]pyrimidin-2-amine);oxalic acid
CID 173361723
bis(1-[(4-fluorophenyl)methyl]-5,6-dimethoxy-2-(piperidin-4-ylmethyl)benzimidazole);oxalic acid
CID 70391591
1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
CID 71301961
2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 14518026
1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine
CID 176515378
3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161542
2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole
CID 70492080
N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine
CID 14013278
3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol
CID 14013120
1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one
CID 71731166
3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161648

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine (CID 14013355) is 1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine is Fc1ccc(Cn2c(CC3CCNCC3)nc3ncccc32)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is IYRBOISAFWRDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c20-16-5-3-15(4-6-16)13-24-17-2-1-9-22-19(17)23-18(24)12-14-7-10-21-11-8-14/h1-6,9,14,21H,7-8,10-13H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 324.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 14013355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).