7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline

C21H16FN5S — CID 175322316

IUPAC7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCc1csc(-c2cnc3ncn(C(C)c4cc5cccnc5cc4F)c3n2)c1
InChIInChI=1S/C21H16FN5S/c1-12-6-19(28-10-12)18-9-24-20-21(26-18)27(11-25-20)13(2)15-7-14-4-3-5-23-17(14)8-16(15)22/h3-11,13H,1-2H3
InChIKeyHDPHLOVCDSGZKU-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.16
Rot. Bonds3

About 7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline

7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (PubChem CID 175322316) has the molecular formula C21H16FN5S and a molecular weight of 389.46 g/mol. Its IUPAC name is 7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
PubChem CID175322316
Molecular FormulaC21H16FN5S
Molecular Weight389.46 g/mol
Exact Mass389.11
IUPAC Name7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCc1csc(-c2cnc3ncn(C(C)c4cc5cccnc5cc4F)c3n2)c1
InChIInChI=1S/C21H16FN5S/c1-12-6-19(28-10-12)18-9-24-20-21(26-18)27(11-25-20)13(2)15-7-14-4-3-5-23-17(14)8-16(15)22/h3-11,13H,1-2H3
InChIKeyHDPHLOVCDSGZKU-UHFFFAOYSA-N
XLogP5.16
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline
CID 141370388
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-(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-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline
CID 141370285
1-(7-fluoroquinolin-6-yl)ethanol
CID 66927200
6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514864
6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 86566369
7-fluoro-6-(1-imidazo[4,5-b]pyrazin-3-ylethyl)-3-(1-methylpyrazol-4-yl)quinoline
CID 141370356
(2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol
CID 141358659
2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
CID 75596564

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The IUPAC name of 7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (CID 175322316) is 7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.
What is the SMILES notation for 7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The canonical SMILES for 7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is Cc1csc(-c2cnc3ncn(C(C)c4cc5cccnc5cc4F)c3n2)c1.
What is the InChIKey of 7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The InChIKey is HDPHLOVCDSGZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5S/c1-12-6-19(28-10-12)18-9-24-20-21(26-18)27(11-25-20)13(2)15-7-14-4-3-5-23-17(14)8-16(15)22/h3-11,13H,1-2H3.
What are the key properties of 7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline has a molecular weight of 389.46 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is sourced from PubChem (CID 175322316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).