3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine

C18H19FN4 — CID 117161994

IUPAC3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
SMILESFc1cccc(Cn2c(C3CCCNC3)nc3cccnc32)c1
InChIInChI=1S/C18H19FN4/c19-15-6-1-4-13(10-15)12-23-17(14-5-2-8-20-11-14)22-16-7-3-9-21-18(16)23/h1,3-4,6-7,9-10,14,20H,2,5,8,11-12H2
InChIKeyXUQARZZWQNFVAQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.09
Rot. Bonds3

About 3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine

3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine (PubChem CID 117161994) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
PubChem CID117161994
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
SMILESFc1cccc(Cn2c(C3CCCNC3)nc3cccnc32)c1
InChIInChI=1S/C18H19FN4/c19-15-6-1-4-13(10-15)12-23-17(14-5-2-8-20-11-14)22-16-7-3-9-21-18(16)23/h1,3-4,6-7,9-10,14,20H,2,5,8,11-12H2
InChIKeyXUQARZZWQNFVAQ-UHFFFAOYSA-N
XLogP3.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160405
4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol
CID 117160437
3-[(1-methylpyrrolidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161921
3-methyl-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 63757632
3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161937
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916
3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79289581
3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160416
2-pyrrolidin-3-yl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117160618
2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160831
3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117160406
2-[(3-fluorophenyl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one
CID 95558060

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine (CID 117161994) is 3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine is Fc1cccc(Cn2c(C3CCCNC3)nc3cccnc32)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine?
The InChIKey is XUQARZZWQNFVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c19-15-6-1-4-13(10-15)12-23-17(14-5-2-8-20-11-14)22-16-7-3-9-21-18(16)23/h1,3-4,6-7,9-10,14,20H,2,5,8,11-12H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine?
3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine has a molecular weight of 310.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117161994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).