4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide

C23H18FN5O2 — CID 90157767

IUPAC4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3cnc(C(=O)N4CCCc5cc(F)ccc54)cn23)cc1
InChIInChI=1S/C23H18FN5O2/c24-17-7-8-19-16(10-17)2-1-9-28(19)23(31)18-13-29-20(11-27-21(29)12-26-18)14-3-5-15(6-4-14)22(25)30/h3-8,10-13H,1-2,9H2,(H2,25,30)
InChIKeyUCMBVGLOIBHIIU-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.23
Rot. Bonds3

About 4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide

4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 90157767) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is 4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound Name4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID90157767
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3cnc(C(=O)N4CCCc5cc(F)ccc54)cn23)cc1
InChIInChI=1S/C23H18FN5O2/c24-17-7-8-19-16(10-17)2-1-9-28(19)23(31)18-13-29-20(11-27-21(29)12-26-18)14-3-5-15(6-4-14)22(25)30/h3-8,10-13H,1-2,9H2,(H2,25,30)
InChIKeyUCMBVGLOIBHIIU-UHFFFAOYSA-N
XLogP3.23
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone
CID 90157442
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone
CID 90176051
3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 74767352
4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide
CID 90157300
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 47026550
(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55778052
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 47168679
2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 4775931
N-cyclopentyl-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747475
(5-chlorothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47168711
trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119924

Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of 4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 90157767) is 4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for 4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for 4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide is NC(=O)c1ccc(-c2cnc3cnc(C(=O)N4CCCc5cc(F)ccc54)cn23)cc1.
What is the InChIKey of 4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is UCMBVGLOIBHIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c24-17-7-8-19-16(10-17)2-1-9-28(19)23(31)18-13-29-20(11-27-21(29)12-26-18)14-3-5-15(6-4-14)22(25)30/h3-8,10-13H,1-2,9H2,(H2,25,30).
What are the key properties of 4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 415.43 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 90157767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).