6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline

C21H14FN5 — CID 86566675

IUPAC6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESFc1ccccc1-c1cnc2ncn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C21H14FN5/c22-17-6-2-1-5-16(17)19-11-24-20-21(26-19)27(13-25-20)12-14-7-8-18-15(10-14)4-3-9-23-18/h1-11,13H,12H2
InChIKeyKXKJJTRMNHZLMO-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.23
Rot. Bonds3

About 6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline

6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 86566675) has the molecular formula C21H14FN5 and a molecular weight of 355.38 g/mol. Its IUPAC name is 6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
PubChem CID86566675
Molecular FormulaC21H14FN5
Molecular Weight355.38 g/mol
Exact Mass355.12
IUPAC Name6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESFc1ccccc1-c1cnc2ncn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C21H14FN5/c22-17-6-2-1-5-16(17)19-11-24-20-21(26-19)27(13-25-20)12-14-7-8-18-15(10-14)4-3-9-23-18/h1-11,13H,12H2
InChIKeyKXKJJTRMNHZLMO-UHFFFAOYSA-N
XLogP4.23
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Imiquimod
CID 57469
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Miransertib
CID 53262401
CR-4056
CID 24898732
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
CGS 12066B-parent
CID 2689
Florquinitau
CID 118577045
Panulisib
CID 56947515
Bag-956
CID 24882589
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 86566675) is 6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline is Fc1ccccc1-c1cnc2ncn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of 6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The InChIKey is KXKJJTRMNHZLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5/c22-17-6-2-1-5-16(17)19-11-24-20-21(26-19)27(13-25-20)12-14-7-8-18-15(10-14)4-3-9-23-18/h1-11,13H,12H2.
What are the key properties of 6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline has a molecular weight of 355.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 86566675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).