3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride

C24H22ClF2N5O3 — CID 170692313

IUPAC3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride
SMILESCl.O=C(Cc1ccc(Nc2nc(-c3c(F)cccc3F)n3cc[nH]c(=O)c23)cc1)N1CCOCC1
InChIInChI=1S/C24H21F2N5O3.ClH/c25-17-2-1-3-18(26)20(17)23-29-22(21-24(33)27-8-9-31(21)23)28-16-6-4-15(5-7-16)14-19(32)30-10-12-34-13-11-30;/h1-9,28H,10-14H2,(H,27,33);1H
InChIKeyKYSNPUZWTYGTIK-UHFFFAOYSA-N
MW501.92 g/mol
LogP3.53
Rot. Bonds5

About 3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride

3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride (PubChem CID 170692313) has the molecular formula C24H22ClF2N5O3 and a molecular weight of 501.92 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride
PubChem CID170692313
Molecular FormulaC24H22ClF2N5O3
Molecular Weight501.92 g/mol
Exact Mass501.14
IUPAC Name3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride
SMILESCl.O=C(Cc1ccc(Nc2nc(-c3c(F)cccc3F)n3cc[nH]c(=O)c23)cc1)N1CCOCC1
InChIInChI=1S/C24H21F2N5O3.ClH/c25-17-2-1-3-18(26)20(17)23-29-22(21-24(33)27-8-9-31(21)23)28-16-6-4-15(5-7-16)14-19(32)30-10-12-34-13-11-30;/h1-9,28H,10-14H2,(H,27,33);1H
InChIKeyKYSNPUZWTYGTIK-UHFFFAOYSA-N
XLogP3.53
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.92
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone
CID 167959813
3-[4-[4-[[3-(2,6-difluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]amino]-1-methylpyrazol-3-yl]-2,6-difluorophenyl]-1-(4-methylsulfonylanilino)-7H-imidazo[1,5-a]pyrazin-8-one
CID 167130667
2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]phenyl]-1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
CID 137071465
2-(2,6-difluorophenyl)-4-[4-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 166987625
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 39938891
N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide
CID 71122857
4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 39940048
1-morpholin-4-yl-2-[4-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 167963906
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 119712469
methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate
CID 56796791
2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone
CID 176516089

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride?
The IUPAC name of 3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride (CID 170692313) is 3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride.
What is the SMILES notation for 3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride?
The canonical SMILES for 3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride is Cl.O=C(Cc1ccc(Nc2nc(-c3c(F)cccc3F)n3cc[nH]c(=O)c23)cc1)N1CCOCC1.
What is the InChIKey of 3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride?
The InChIKey is KYSNPUZWTYGTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O3.ClH/c25-17-2-1-3-18(26)20(17)23-29-22(21-24(33)27-8-9-31(21)23)28-16-6-4-15(5-7-16)14-19(32)30-10-12-34-13-11-30;/h1-9,28H,10-14H2,(H,27,33);1H.
What are the key properties of 3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride?
3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride has a molecular weight of 501.92 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride is sourced from PubChem (CID 170692313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).