6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline

C24H16FN5S — CID 141370260

IUPAC6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline
SMILESCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cc4ccccc4s3)nc21
InChIInChI=1S/C24H16FN5S/c1-14(17-9-15-6-4-8-26-19(15)11-18(17)25)30-13-28-23-24(30)29-20(12-27-23)22-10-16-5-2-3-7-21(16)31-22/h2-14H,1H3
InChIKeyNXOJSAOMFHTCJX-UHFFFAOYSA-N
MW425.49 g/mol
LogP6.00
Rot. Bonds3

About 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline

6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline (PubChem CID 141370260) has the molecular formula C24H16FN5S and a molecular weight of 425.49 g/mol. Its IUPAC name is 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline.

Molecular Properties

Compound Name6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline
PubChem CID141370260
Molecular FormulaC24H16FN5S
Molecular Weight425.49 g/mol
Exact Mass425.11
IUPAC Name6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline
SMILESCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cc4ccccc4s3)nc21
InChIInChI=1S/C24H16FN5S/c1-14(17-9-15-6-4-8-26-19(15)11-18(17)25)30-13-28-23-24(30)29-20(12-27-23)22-10-16-5-2-3-7-21(16)31-22/h2-14H,1H3
InChIKeyNXOJSAOMFHTCJX-UHFFFAOYSA-N
XLogP6.00
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11710453
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
4-thiophen-2-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)-pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11498144
4-benzo[b]thiophen-2-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11656831
2-[[1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 14013470
2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(6-thiophen-3-yl-3-pyridinyl)methyl]purine-2,6-diamine
CID 21362604
1-(1-Benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 54587313
7-(7-(4-(4-Methylpiperazin-1-yl)phenyl)imidazo[1,2-a]pyridin-3-yl)thieno[3,2-b]pyridine
CID 56973448
3-(6-Quinolylmethyl)-6-(2-thienyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405873
6-[Difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
CID 57406400
2-Benzo[b]thiophen-2-yl-5-imidazol-1-ylmethyl-pyridine
CID 70685192

Frequently Asked Questions

What is the IUPAC name of 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline?
The IUPAC name of 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline (CID 141370260) is 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline.
What is the SMILES notation for 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline?
The canonical SMILES for 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline is CC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cc4ccccc4s3)nc21.
What is the InChIKey of 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline?
The InChIKey is NXOJSAOMFHTCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5S/c1-14(17-9-15-6-4-8-26-19(15)11-18(17)25)30-13-28-23-24(30)29-20(12-27-23)22-10-16-5-2-3-7-21(16)31-22/h2-14H,1H3.
What are the key properties of 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline?
6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline has a molecular weight of 425.49 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline is sourced from PubChem (CID 141370260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).