2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine

C19H21FN4 — CID 82151112

IUPAC2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(-c1ccc(F)cc1)n2CC1CCCNC1
InChIInChI=1S/C19H21FN4/c1-13-9-17-19(22-10-13)24(12-14-3-2-8-21-11-14)18(23-17)15-4-6-16(20)7-5-15/h4-7,9-10,14,21H,2-3,8,11-12H2,1H3
InChIKeyIDLKIUHACLFVPE-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.55
Rot. Bonds3

About 2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine

2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 82151112) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID82151112
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(-c1ccc(F)cc1)n2CC1CCCNC1
InChIInChI=1S/C19H21FN4/c1-13-9-17-19(22-10-13)24(12-14-3-2-8-21-11-14)18(23-17)15-4-6-16(20)7-5-15/h4-7,9-10,14,21H,2-3,8,11-12H2,1H3
InChIKeyIDLKIUHACLFVPE-UHFFFAOYSA-N
XLogP3.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 82151111
5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149802
4-[5-methyl-1-(piperidin-3-ylmethyl)imidazol-2-yl]pyridine
CID 90488017
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633
3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414
6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84796143
8-(2-fluoro-6-iodophenyl)-N-[(3-fluorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
CID 70794297
8-(2-chloro-5-fluoro-3-pyridinyl)-N-[(3,4-difluorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
CID 58155505
2-(2-chloroethyl)-3-(cyclobutylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301428
5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one
CID 63205945
2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117165834
8-(2-chloro-6-fluorophenyl)-N-[(3-chloro-4-fluorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
CID 58155670

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine (CID 82151112) is 2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(-c1ccc(F)cc1)n2CC1CCCNC1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is IDLKIUHACLFVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c1-13-9-17-19(22-10-13)24(12-14-3-2-8-21-11-14)18(23-17)15-4-6-16(20)7-5-15/h4-7,9-10,14,21H,2-3,8,11-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 324.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 82151112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).