4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine

C50H49Cl2N11O3 — CID 157371994

IUPAC4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine
SMILESCc1ccc(-c2nc(N3CCOCC3)c3cnccn23)cc1.Clc1ccc(-c2nc(C3CCOCC3)c3cnccn23)cc1.Clc1ccc(-c2nc(N3CCOCC3)c3cnccn23)cc1
InChIInChI=1S/C17H16ClN3O.C17H18N4O.C16H15ClN4O/c18-14-3-1-13(2-4-14)17-20-16(12-5-9-22-10-6-12)15-11-19-7-8-21(15)17;1-13-2-4-14(5-3-13)16-19-17(20-8-10-22-11-9-20)15-12-18-6-7-21(15)16;17-13-3-1-12(2-4-13)15-19-16(20-7-9-22-10-8-20)14-11-18-5-6-21(14)15/h1-4,7-8,11-12H,5-6,9-10H2;2-7,12H,8-11H2,1H3;1-6,11H,7-10H2
InChIKeyBJWKMIUJDVPMLT-UHFFFAOYSA-N
MW922.92 g/mol
LogP9.37
Rot. Bonds6

About 4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine

4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine (PubChem CID 157371994) has the molecular formula C50H49Cl2N11O3 and a molecular weight of 922.92 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine
PubChem CID157371994
Molecular FormulaC50H49Cl2N11O3
Molecular Weight922.92 g/mol
Exact Mass921.34
IUPAC Name4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine
SMILESCc1ccc(-c2nc(N3CCOCC3)c3cnccn23)cc1.Clc1ccc(-c2nc(C3CCOCC3)c3cnccn23)cc1.Clc1ccc(-c2nc(N3CCOCC3)c3cnccn23)cc1
InChIInChI=1S/C17H16ClN3O.C17H18N4O.C16H15ClN4O/c18-14-3-1-13(2-4-14)17-20-16(12-5-9-22-10-6-12)15-11-19-7-8-21(15)17;1-13-2-4-14(5-3-13)16-19-17(20-8-10-22-11-9-20)15-12-18-6-7-21(15)16;17-13-3-1-12(2-4-13)15-19-16(20-7-9-22-10-8-20)14-11-18-5-6-21(14)15/h1-4,7-8,11-12H,5-6,9-10H2;2-7,12H,8-11H2,1H3;1-6,11H,7-10H2
InChIKeyBJWKMIUJDVPMLT-UHFFFAOYSA-N
XLogP9.37
TPSA124.74 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500922.92
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine with MolForge

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Related Compounds

5-chloro-3-{6-chloro-2-[(trans)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridin-4-yl}-N,N-dimethylpyridin-2-amine
CID 86724616
6-chloro-3-[(trans-4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-(pyrazin-2-yl)-3H-imidazo[4,5-c]pyridine
CID 86724627
3-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-6-chloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-4-yl]-5-chloro-N,N-dimethylpyridin-2-amine
CID 90237203
8-(2,4-Dichlorophenyl)-3-[1-[3-[8-(2,4-dichlorophenyl)-2-ethylimidazo[1,2-a]pyrazin-3-yl]hexoxy]hexan-3-yl]-2-ethylimidazo[1,2-a]pyrazine
CID 91431010
(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine
CID 117616947
(3R)-4-[2-chloro-6-(5-chloro-3-pyridinyl)-7-[1-(4-methylcyclohexyl)ethyl]purin-8-yl]-3-phenylmorpholine
CID 118558840
4-[5-[3-(4-Chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine;4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine
CID 118576897
(3R)-4-[4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine
CID 123243998
7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine
CID 126614086
1-(4-chlorophenyl)-N,N-dimethylimidazo[1,5-a]pyrazin-3-amine;1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-methylimidazo[1,5-a]pyrazin-3-amine;1-(4-chlorophenyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;1-(4-chlorophenyl)-3-(oxan-4-ylmethyl)imidazo[1,5-a]pyrazine;1-[4-(difluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine;3-(oxan-4-yl)-1-phenylpyrazolo[5,4-c]pyridine;4-[3-(oxan-4-yl)pyrazolo[5,4-c]pyridin-1-yl]benzonitrile
CID 157144969
2,6-Dichloro-9-(3-methylphenyl)purine;5-[9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 157218977
4-[5-[3-(4-Cyclopropylphenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine;4-[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine;4-[5-(3-phenylimidazo[4,5-c]pyridin-2-yl)pyrimidin-2-yl]morpholine
CID 157314962

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine?
The IUPAC name of 4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine (CID 157371994) is 4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine?
The canonical SMILES for 4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine is Cc1ccc(-c2nc(N3CCOCC3)c3cnccn23)cc1.Clc1ccc(-c2nc(C3CCOCC3)c3cnccn23)cc1.Clc1ccc(-c2nc(N3CCOCC3)c3cnccn23)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine?
The InChIKey is BJWKMIUJDVPMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O.C17H18N4O.C16H15ClN4O/c18-14-3-1-13(2-4-14)17-20-16(12-5-9-22-10-6-12)15-11-19-7-8-21(15)17;1-13-2-4-14(5-3-13)16-19-17(20-8-10-22-11-9-20)15-12-18-6-7-21(15)16;17-13-3-1-12(2-4-13)15-19-16(20-7-9-22-10-8-20)14-11-18-5-6-21(14)15/h1-4,7-8,11-12H,5-6,9-10H2;2-7,12H,8-11H2,1H3;1-6,11H,7-10H2.
What are the key properties of 4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine?
4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine has a molecular weight of 922.92 g/mol, XLogP of 9.37, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine;3-(4-chlorophenyl)-1-(oxan-4-yl)imidazo[1,5-a]pyrazine;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrazin-1-yl]morpholine is sourced from PubChem (CID 157371994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).