8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline

C19H12FN5S — CID 90884664

IUPAC8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline
SMILESFc1cccc2c(Cn3c(-c4ccsc4)nc4nccnc43)ccnc12
InChIInChI=1S/C19H12FN5S/c20-15-3-1-2-14-12(4-6-21-16(14)15)10-25-18(13-5-9-26-11-13)24-17-19(25)23-8-7-22-17/h1-9,11H,10H2
InChIKeyHEUWZFNLFOCWFR-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.29
Rot. Bonds3

About 8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline

8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline (PubChem CID 90884664) has the molecular formula C19H12FN5S and a molecular weight of 361.41 g/mol. Its IUPAC name is 8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline.

Molecular Properties

Compound Name8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline
PubChem CID90884664
Molecular FormulaC19H12FN5S
Molecular Weight361.41 g/mol
Exact Mass361.08
IUPAC Name8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline
SMILESFc1cccc2c(Cn3c(-c4ccsc4)nc4nccnc43)ccnc12
InChIInChI=1S/C19H12FN5S/c20-15-3-1-2-14-12(4-6-21-16(14)15)10-25-18(13-5-9-26-11-13)24-17-19(25)23-8-7-22-17/h1-9,11H,10H2
InChIKeyHEUWZFNLFOCWFR-UHFFFAOYSA-N
XLogP4.29
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline with MolForge

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Related Compounds

Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
S-21007
CID 9863146
12-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 44546167
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[2,3-b]pyrazine
CID 56973462
6-Methyl-2-[5-(2-pyridinyl)-2-thienyl]imidazo[1,2-a]pyridine
CID 2813457
6-Thiophen-2-yl-6,12-dihydrobenzimidazolo[1,2-c]quinazoline
CID 3818611
2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
N-(2-aminoethyl)-12-methyl-4-(pyridin-3-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093433
2-Thiophen-2-ylimidazo[2,1-a]isoquinoline
CID 763549

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline?
The IUPAC name of 8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline (CID 90884664) is 8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline.
What is the SMILES notation for 8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline?
The canonical SMILES for 8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline is Fc1cccc2c(Cn3c(-c4ccsc4)nc4nccnc43)ccnc12.
What is the InChIKey of 8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline?
The InChIKey is HEUWZFNLFOCWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5S/c20-15-3-1-2-14-12(4-6-21-16(14)15)10-25-18(13-5-9-26-11-13)24-17-19(25)23-8-7-22-17/h1-9,11H,10H2.
What are the key properties of 8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline?
8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline has a molecular weight of 361.41 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline is sourced from PubChem (CID 90884664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).