(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone

C23H16F4N4O — CID 90157442

IUPAC(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone
SMILESO=C(c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)N1CCCc2cc(F)ccc21
InChIInChI=1S/C23H16F4N4O/c24-17-7-8-19-15(10-17)2-1-9-30(19)22(32)18-13-31-20(11-29-21(31)12-28-18)14-3-5-16(6-4-14)23(25,26)27/h3-8,10-13H,1-2,9H2
InChIKeyYTHFVYPUAMGZIP-UHFFFAOYSA-N
MW440.40 g/mol
LogP5.15
Rot. Bonds2

About (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone

(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone (PubChem CID 90157442) has the molecular formula C23H16F4N4O and a molecular weight of 440.40 g/mol. Its IUPAC name is (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone
PubChem CID90157442
Molecular FormulaC23H16F4N4O
Molecular Weight440.40 g/mol
Exact Mass440.13
IUPAC Name(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone
SMILESO=C(c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)N1CCCc2cc(F)ccc21
InChIInChI=1S/C23H16F4N4O/c24-17-7-8-19-15(10-17)2-1-9-30(19)22(32)18-13-31-20(11-29-21(31)12-28-18)14-3-5-16(6-4-14)23(25,26)27/h3-8,10-13H,1-2,9H2
InChIKeyYTHFVYPUAMGZIP-UHFFFAOYSA-N
XLogP5.15
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.40
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone?
The IUPAC name of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone (CID 90157442) is (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone.
What is the SMILES notation for (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone?
The canonical SMILES for (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone is O=C(c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)N1CCCc2cc(F)ccc21.
What is the InChIKey of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone?
The InChIKey is YTHFVYPUAMGZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N4O/c24-17-7-8-19-15(10-17)2-1-9-30(19)22(32)18-13-31-20(11-29-21(31)12-28-18)14-3-5-16(6-4-14)23(25,26)27/h3-8,10-13H,1-2,9H2.
What are the key properties of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone?
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone has a molecular weight of 440.40 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone is sourced from PubChem (CID 90157442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).