(2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C19H18F4N4O3 — CID 141276416

IUPAC(2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccccc1F)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C19H18F4N4O3/c20-13-4-2-1-3-12(13)16(28)26-5-6-27-14(11-26)15(24-18(27)19(21,22)23)17(29)25-7-9-30-10-8-25/h1-4H,5-11H2
InChIKeyNWNAUOUUAAXNFT-UHFFFAOYSA-N
MW426.37 g/mol
LogP2.17
Rot. Bonds2

About (2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

(2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 141276416) has the molecular formula C19H18F4N4O3 and a molecular weight of 426.37 g/mol. Its IUPAC name is (2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID141276416
Molecular FormulaC19H18F4N4O3
Molecular Weight426.37 g/mol
Exact Mass426.13
IUPAC Name(2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccccc1F)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C19H18F4N4O3/c20-13-4-2-1-3-12(13)16(28)26-5-6-27-14(11-26)15(24-18(27)19(21,22)23)17(29)25-7-9-30-10-8-25/h1-4H,5-11H2
InChIKeyNWNAUOUUAAXNFT-UHFFFAOYSA-N
XLogP2.17
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl)-[2-(morpholine-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 134790235
(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267906
7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 56832573
3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 74947083
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(5-chloro-2-fluorophenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 166178822
4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
CID 82304393
1-[4-[7-[(3S)-3-amino-4-(2,4,5-trifluorophenyl)butanethioyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone
CID 77107342
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
[2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 164892562

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 141276416) is (2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is O=C(c1ccccc1F)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCOCC3)c2C1.
What is the InChIKey of (2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is NWNAUOUUAAXNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4O3/c20-13-4-2-1-3-12(13)16(28)26-5-6-27-14(11-26)15(24-18(27)19(21,22)23)17(29)25-7-9-30-10-8-25/h1-4H,5-11H2.
What are the key properties of (2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
(2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 426.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 141276416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).