(8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C21H23N5O — CID 75368595

IUPAC(8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2ccccn2)C[C@H]2CN(Cc3c[nH]c4ccccc34)CCN12
InChIInChI=1S/C21H23N5O/c27-21-25(13-17-5-3-4-8-22-17)15-18-14-24(9-10-26(18)21)12-16-11-23-20-7-2-1-6-19(16)20/h1-8,11,18,23H,9-10,12-15H2/t18-/m1/s1
InChIKeyGMLACUWURJXVAU-GOSISDBHSA-N
MW361.45 g/mol
LogP2.68
Rot. Bonds4

About (8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368595) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368595
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2ccccn2)C[C@H]2CN(Cc3c[nH]c4ccccc34)CCN12
InChIInChI=1S/C21H23N5O/c27-21-25(13-17-5-3-4-8-22-17)15-18-14-24(9-10-26(18)21)12-16-11-23-20-7-2-1-6-19(16)20/h1-8,11,18,23H,9-10,12-15H2/t18-/m1/s1
InChIKeyGMLACUWURJXVAU-GOSISDBHSA-N
XLogP2.68
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

(8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537104
(8aR)-7-benzoyl-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75536978
3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 127247080
N-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 162887102
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171
3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 878346
(8aR)-2-[(4-fluorophenyl)methyl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537096
2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45239360
[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanol
CID 43817859
2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98579746
4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 155258244
(6R)-4-ethyl-1-(1H-indol-3-ylmethyl)-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 124985268

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368595) is (8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C1N(Cc2ccccn2)C[C@H]2CN(Cc3c[nH]c4ccccc34)CCN12.
What is the InChIKey of (8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is GMLACUWURJXVAU-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21-25(13-17-5-3-4-8-22-17)15-18-14-24(9-10-26(18)21)12-16-11-23-20-7-2-1-6-19(16)20/h1-8,11,18,23H,9-10,12-15H2/t18-/m1/s1.
What are the key properties of (8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 361.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).