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

C18H19FN4 — CID 117161382

IUPAC3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCC(Cc2nc3cccnc3n2-c2cccc(F)c2)C1
InChIInChI=1S/C18H19FN4/c1-22-9-7-13(12-22)10-17-21-16-6-3-8-20-18(16)23(17)15-5-2-4-14(19)11-15/h2-6,8,11,13H,7,9-10,12H2,1H3
InChIKeyIOVCCDWDNPGNMR-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.05
Rot. Bonds3

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

3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117161382) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID117161382
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCC(Cc2nc3cccnc3n2-c2cccc(F)c2)C1
InChIInChI=1S/C18H19FN4/c1-22-9-7-13(12-22)10-17-21-16-6-3-8-20-18(16)23(17)15-5-2-4-14(19)11-15/h2-6,8,11,13H,7,9-10,12H2,1H3
InChIKeyIOVCCDWDNPGNMR-UHFFFAOYSA-N
XLogP3.05
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161399
3-(5-chlorofuran-2-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161274
3-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161
3-(3-methylphenyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161687
3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117163061
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine
CID 46389164
(3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 95112504
3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161697
2-[(1-methylpyrrolidin-3-yl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117161203
3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161371
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 53085239

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine (CID 117161382) is 3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine is CN1CCC(Cc2nc3cccnc3n2-c2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is IOVCCDWDNPGNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-22-9-7-13(12-22)10-17-21-16-6-3-8-20-18(16)23(17)15-5-2-4-14(19)11-15/h2-6,8,11,13H,7,9-10,12H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 310.38 g/mol, XLogP of 3.05, 3 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-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).