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

C23H18FN5S — CID 86566481

IUPAC7-fluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCSc1ccc(-c2cnc3ncn(C(C)c4cc5cccnc5cc4F)c3n2)cc1
InChIInChI=1S/C23H18FN5S/c1-14(18-10-16-4-3-9-25-20(16)11-19(18)24)29-13-27-22-23(29)28-21(12-26-22)15-5-7-17(30-2)8-6-15/h3-14H,1-2H3
InChIKeyDOGMDVDNWPABJU-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.51
Rot. Bonds4

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

7-fluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (PubChem CID 86566481) has the molecular formula C23H18FN5S and a molecular weight of 415.50 g/mol. Its IUPAC name is 7-fluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
PubChem CID86566481
Molecular FormulaC23H18FN5S
Molecular Weight415.50 g/mol
Exact Mass415.13
IUPAC Name7-fluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCSc1ccc(-c2cnc3ncn(C(C)c4cc5cccnc5cc4F)c3n2)cc1
InChIInChI=1S/C23H18FN5S/c1-14(18-10-16-4-3-9-25-20(16)11-19(18)24)29-13-27-22-23(29)28-21(12-26-22)15-5-7-17(30-2)8-6-15/h3-14H,1-2H3
InChIKeyDOGMDVDNWPABJU-UHFFFAOYSA-N
XLogP5.51
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline with MolForge

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Related Compounds

E6Clv6G2RR
CID 16750138
(R)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11710453
6-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]quinoline
CID 70677397
6-(Carbazol-9-ylmethyl)pteridine-2,4-diamine
CID 486244
8-(3-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 9980809
2-[4-[2-Methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile
CID 11350077
2-[4-[2-Ethyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile
CID 11774303
2-[[1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 14013470
4-[5-(4-Fluoro-phenyl)-3-methyl-2-(4-methylsulfanyl-phenyl)-3H-imidazol-4-yl]-pyridine
CID 20674619
KP5TW22ME7
CID 24742039
4-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
CID 54765389
7-(7-(4-(4-Methylpiperazin-1-yl)phenyl)imidazo[1,2-a]pyridin-3-yl)thieno[3,2-b]pyridine
CID 56973448

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The IUPAC name of 7-fluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (CID 86566481) is 7-fluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.
What is the SMILES notation for 7-fluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The canonical SMILES for 7-fluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is CSc1ccc(-c2cnc3ncn(C(C)c4cc5cccnc5cc4F)c3n2)cc1.
What is the InChIKey of 7-fluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The InChIKey is DOGMDVDNWPABJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5S/c1-14(18-10-16-4-3-9-25-20(16)11-19(18)24)29-13-27-22-23(29)28-21(12-26-22)15-5-7-17(30-2)8-6-15/h3-14H,1-2H3.
What are the key properties of 7-fluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
7-fluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline has a molecular weight of 415.50 g/mol, XLogP of 5.51, 4 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-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is sourced from PubChem (CID 86566481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).