1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one

C29H36FN5O2 — CID 159444276

IUPAC1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
SMILESCCC(=O)N1CCn2c(C3CCC(C)(F)CC3)nc(-c3cccc4cc(N5CCOCC5)ncc34)c2C1
InChIInChI=1S/C29H36FN5O2/c1-3-26(36)34-11-12-35-24(19-34)27(32-28(35)20-7-9-29(2,30)10-8-20)22-6-4-5-21-17-25(31-18-23(21)22)33-13-15-37-16-14-33/h4-6,17-18,20H,3,7-16,19H2,1-2H3
InChIKeyUPTBPVZMHFYIJE-UHFFFAOYSA-N
MW505.64 g/mol
LogP5.07
Rot. Bonds4

About 1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one

1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (PubChem CID 159444276) has the molecular formula C29H36FN5O2 and a molecular weight of 505.64 g/mol. Its IUPAC name is 1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
PubChem CID159444276
Molecular FormulaC29H36FN5O2
Molecular Weight505.64 g/mol
Exact Mass505.29
IUPAC Name1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
SMILESCCC(=O)N1CCn2c(C3CCC(C)(F)CC3)nc(-c3cccc4cc(N5CCOCC5)ncc34)c2C1
InChIInChI=1S/C29H36FN5O2/c1-3-26(36)34-11-12-35-24(19-34)27(32-28(35)20-7-9-29(2,30)10-8-20)22-6-4-5-21-17-25(31-18-23(21)22)33-13-15-37-16-14-33/h4-6,17-18,20H,3,7-16,19H2,1-2H3
InChIKeyUPTBPVZMHFYIJE-UHFFFAOYSA-N
XLogP5.07
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.64
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one with MolForge

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Related Compounds

Imidazopyridine 12a
CID 5329347
2-[[4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl]methyl]-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine
CID 9828521
N-methyl-N-[(5-morpholinoimidazo[1,2-a]pyridin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 45487054
4-[2-Methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67413428
4-[2-Methyl-3-[6-(2-methylpropyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67415193
4-[3-(6-Ethyl-3-pyridinyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67425321
2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 71666672
2-[2-Cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 73346313
(2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine
CID 139326529
4-[5-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]pyrimidin-2-yl]morpholine
CID 168283226
[(4S,4aS,8aR)-2-[(2S)-2-methyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)propyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-4-yl]-[4-(3,4-difluorophenyl)piperazin-1-yl]methanone
CID 46880590
(R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(6-morpholinopyridin-3-yl)-7,8-dihydro-1H-imidazo[2,1-b]purin-4(5H)-one
CID 54585520

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The IUPAC name of 1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (CID 159444276) is 1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is CCC(=O)N1CCn2c(C3CCC(C)(F)CC3)nc(-c3cccc4cc(N5CCOCC5)ncc34)c2C1.
What is the InChIKey of 1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The InChIKey is UPTBPVZMHFYIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36FN5O2/c1-3-26(36)34-11-12-35-24(19-34)27(32-28(35)20-7-9-29(2,30)10-8-20)22-6-4-5-21-17-25(31-18-23(21)22)33-13-15-37-16-14-33/h4-6,17-18,20H,3,7-16,19H2,1-2H3.
What are the key properties of 1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one has a molecular weight of 505.64 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoro-4-methylcyclohexyl)-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 159444276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).