3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine

C18H19FN4 — CID 117163061

IUPAC3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCCC1c1nc2cccnc2n1-c1cccc(F)c1
InChIInChI=1S/C18H19FN4/c1-22-11-3-2-9-16(22)18-21-15-8-5-10-20-17(15)23(18)14-7-4-6-13(19)12-14/h4-8,10,12,16H,2-3,9,11H2,1H3
InChIKeyPKRXGMPDDVUAMV-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.72
Rot. Bonds2

About 3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine

3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117163061) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
PubChem CID117163061
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCCC1c1nc2cccnc2n1-c1cccc(F)c1
InChIInChI=1S/C18H19FN4/c1-22-11-3-2-9-16(22)18-21-15-8-5-10-20-17(15)23(18)14-7-4-6-13(19)12-14/h4-8,10,12,16H,2-3,9,11H2,1H3
InChIKeyPKRXGMPDDVUAMV-UHFFFAOYSA-N
XLogP3.72
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162609
2-(1-methylpiperidin-2-yl)-3-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117162978
3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162652
3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117163055
3-(5-methylfuran-2-yl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162958
3-cyclopentyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162679
3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161382
3-(2-methoxyethyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162749
3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117163017
3-cyclopropyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162666
2-(1-methylpiperidin-2-yl)-3-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162863
2,3-bis(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162335

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine (CID 117163061) is 3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine is CN1CCCCC1c1nc2cccnc2n1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is PKRXGMPDDVUAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-22-11-3-2-9-16(22)18-21-15-8-5-10-20-17(15)23(18)14-7-4-6-13(19)12-14/h4-8,10,12,16H,2-3,9,11H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine?
3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 310.38 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).