6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one

C23H34N4O2 — CID 71550717

IUPAC6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC1CN(CC2CCCCC2)CC1c1cn2c(C3CCOCC3)ncc2c(=O)[nH]1
InChIInChI=1S/C23H34N4O2/c1-16-12-26(13-17-5-3-2-4-6-17)14-19(16)20-15-27-21(23(28)25-20)11-24-22(27)18-7-9-29-10-8-18/h11,15-19H,2-10,12-14H2,1H3,(H,25,28)
InChIKeyANZXJFIIWPHDBG-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.53
Rot. Bonds4

About 6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one

6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 71550717) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID71550717
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC1CN(CC2CCCCC2)CC1c1cn2c(C3CCOCC3)ncc2c(=O)[nH]1
InChIInChI=1S/C23H34N4O2/c1-16-12-26(13-17-5-3-2-4-6-17)14-19(16)20-15-27-21(23(28)25-20)11-24-22(27)18-7-9-29-10-8-18/h11,15-19H,2-10,12-14H2,1H3,(H,25,28)
InChIKeyANZXJFIIWPHDBG-UHFFFAOYSA-N
XLogP3.53
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-methyl-4-[3-(oxan-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]methyl]benzonitrile
CID 71550425
tert-butyl (3S,4S)-3-methyl-4-[3-(oxan-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate
CID 135205203
7-(cyclopentylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
CID 122652331
2-(1,4-dimethylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136621767
2-[(4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136621747
6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-phenyl-7H-imidazo[1,5-a]pyrazin-8-one
CID 71549461
3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
CID 122652231
3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one
CID 71550562
1-bromo-6-[(3S,4S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
CID 170187249
bis(phosphanyl)phosphane;tert-butyl (3S,4S)-3-[1-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-methyl-4-[3-(oxan-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate;2-(chloromethyl)pyrimidine;6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one;6-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride
CID 158493462
2-[4-methoxy-1-(methoxymethyl)pyrrolidin-3-yl]-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 137250815
6-methyl-3-(2-methyloxolan-3-yl)-7H-imidazo[1,5-a]pyrazin-8-one
CID 122652329

Frequently Asked Questions

What is the IUPAC name of 6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one (CID 71550717) is 6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one is CC1CN(CC2CCCCC2)CC1c1cn2c(C3CCOCC3)ncc2c(=O)[nH]1.
What is the InChIKey of 6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is ANZXJFIIWPHDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-16-12-26(13-17-5-3-2-4-6-17)14-19(16)20-15-27-21(23(28)25-20)11-24-22(27)18-7-9-29-10-8-18/h11,15-19H,2-10,12-14H2,1H3,(H,25,28).
What are the key properties of 6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one?
6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 398.55 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 71550717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).