4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline

C22H17FN6 — CID 141370388

IUPAC4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline
SMILESCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3ccc(N)cc3)nc21
InChIInChI=1S/C22H17FN6/c1-13(17-9-15-3-2-8-25-19(15)10-18(17)23)29-12-27-21-22(29)28-20(11-26-21)14-4-6-16(24)7-5-14/h2-13H,24H2,1H3
InChIKeyCVZKCQCVKARTIM-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.37
Rot. Bonds3

About 4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline

4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline (PubChem CID 141370388) has the molecular formula C22H17FN6 and a molecular weight of 384.42 g/mol. Its IUPAC name is 4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline.

Molecular Properties

Compound Name4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline
PubChem CID141370388
Molecular FormulaC22H17FN6
Molecular Weight384.42 g/mol
Exact Mass384.15
IUPAC Name4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline
SMILESCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3ccc(N)cc3)nc21
InChIInChI=1S/C22H17FN6/c1-13(17-9-15-3-2-8-25-19(15)10-18(17)23)29-12-27-21-22(29)28-20(11-26-21)14-4-6-16(24)7-5-14/h2-13H,24H2,1H3
InChIKeyCVZKCQCVKARTIM-UHFFFAOYSA-N
XLogP4.37
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370339
7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 175322316
7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline
CID 155549474
6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline
CID 86566424
5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370291
6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 86566369
1-(7-fluoroquinolin-6-yl)ethanol
CID 66927200
7-fluoro-6-(1-imidazo[4,5-b]pyrazin-3-ylethyl)-3-(1-methylpyrazol-4-yl)quinoline
CID 141370356
6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline
CID 141370285
(2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol
CID 141358659
2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 155557617
6-[(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline
CID 86566652

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline?
The IUPAC name of 4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline (CID 141370388) is 4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline.
What is the SMILES notation for 4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline?
The canonical SMILES for 4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline is CC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3ccc(N)cc3)nc21.
What is the InChIKey of 4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline?
The InChIKey is CVZKCQCVKARTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6/c1-13(17-9-15-3-2-8-25-19(15)10-18(17)23)29-12-27-21-22(29)28-20(11-26-21)14-4-6-16(24)7-5-14/h2-13H,24H2,1H3.
What are the key properties of 4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline?
4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline has a molecular weight of 384.42 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline is sourced from PubChem (CID 141370388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).