1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride

C38H37Cl3F4N8O5 — CID 161377461

IUPAC1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride
SMILESCC1(F)CNC1.Cc1nc(-c2ccc(F)c(Cl)c2)c2c(=O)n(CC(=O)N3CC(C)(F)C3)ccn12.Cc1nc(-c2ccc(F)c(Cl)c2)c2c(=O)n(CC(=O)O)ccn12.Cl
InChIInChI=1S/C19H17ClF2N4O2.C15H11ClFN3O3.C4H8FN.ClH/c1-11-23-16(12-3-4-14(21)13(20)7-12)17-18(28)24(5-6-26(11)17)8-15(27)25-9-19(2,22)10-25;1-8-18-13(9-2-3-11(17)10(16)6-9)14-15(23)19(7-12(21)22)4-5-20(8)14;1-4(5)2-6-3-4;/h3-7H,8-10H2,1-2H3;2-6H,7H2,1H3,(H,21,22);6H,2-3H2,1H3;1H
InChIKeyZZJKVSGHVNAUTP-UHFFFAOYSA-N
MW868.12 g/mol
LogP5.92
Rot. Bonds6

About 1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride

1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride (PubChem CID 161377461) has the molecular formula C38H37Cl3F4N8O5 and a molecular weight of 868.12 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride
PubChem CID161377461
Molecular FormulaC38H37Cl3F4N8O5
Molecular Weight868.12 g/mol
Exact Mass866.19
IUPAC Name1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride
SMILESCC1(F)CNC1.Cc1nc(-c2ccc(F)c(Cl)c2)c2c(=O)n(CC(=O)N3CC(C)(F)C3)ccn12.Cc1nc(-c2ccc(F)c(Cl)c2)c2c(=O)n(CC(=O)O)ccn12.Cl
InChIInChI=1S/C19H17ClF2N4O2.C15H11ClFN3O3.C4H8FN.ClH/c1-11-23-16(12-3-4-14(21)13(20)7-12)17-18(28)24(5-6-26(11)17)8-15(27)25-9-19(2,22)10-25;1-8-18-13(9-2-3-11(17)10(16)6-9)14-15(23)19(7-12(21)22)4-5-20(8)14;1-4(5)2-6-3-4;/h3-7H,8-10H2,1-2H3;2-6H,7H2,1H3,(H,21,22);6H,2-3H2,1H3;1H
InChIKeyZZJKVSGHVNAUTP-UHFFFAOYSA-N
XLogP5.92
TPSA148.24 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500868.12
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride with MolForge

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Related Compounds

8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one
CID 129227475
8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one
CID 129227474
3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 129227736
3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 129227424
3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 129227151
3-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-4-one
CID 129227436
2-[4-(3-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 43134914
2-[(4S)-4-(3-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 93239430
2-[5-(3-chloro-4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-3-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone
CID 175851105
3-(3,4-dichlorophenyl)-5-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 129227684
2-[[3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-4-oxopyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsulfanium
CID 163534123
1-[2-(6-fluoro-6-methyl-1,4-diazepan-1-yl)-2-oxoethyl]quinolin-4-one
CID 138001603

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride (CID 161377461) is 1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride is CC1(F)CNC1.Cc1nc(-c2ccc(F)c(Cl)c2)c2c(=O)n(CC(=O)N3CC(C)(F)C3)ccn12.Cc1nc(-c2ccc(F)c(Cl)c2)c2c(=O)n(CC(=O)O)ccn12.Cl.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride?
The InChIKey is ZZJKVSGHVNAUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4O2.C15H11ClFN3O3.C4H8FN.ClH/c1-11-23-16(12-3-4-14(21)13(20)7-12)17-18(28)24(5-6-26(11)17)8-15(27)25-9-19(2,22)10-25;1-8-18-13(9-2-3-11(17)10(16)6-9)14-15(23)19(7-12(21)22)4-5-20(8)14;1-4(5)2-6-3-4;/h3-7H,8-10H2,1-2H3;2-6H,7H2,1H3,(H,21,22);6H,2-3H2,1H3;1H.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride?
1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride has a molecular weight of 868.12 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride is sourced from PubChem (CID 161377461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).