2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

C27H24N4O2 — CID 172672207

IUPAC2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(C(=O)c3ccc4cc(-c5cncc6ccccc56)ccc4c3)CC12
InChIInChI=1S/C27H24N4O2/c32-26-25-17-31(12-11-30(25)10-9-29-26)27(33)21-8-6-18-13-20(7-5-19(18)14-21)24-16-28-15-22-3-1-2-4-23(22)24/h1-8,13-16,25H,9-12,17H2,(H,29,32)
InChIKeyIPJUGXAFKXBPJD-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.31
Rot. Bonds2

About 2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (PubChem CID 172672207) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
PubChem CID172672207
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(C(=O)c3ccc4cc(-c5cncc6ccccc56)ccc4c3)CC12
InChIInChI=1S/C27H24N4O2/c32-26-25-17-31(12-11-30(25)10-9-29-26)27(33)21-8-6-18-13-20(7-5-19(18)14-21)24-16-28-15-22-3-1-2-4-23(22)24/h1-8,13-16,25H,9-12,17H2,(H,29,32)
InChIKeyIPJUGXAFKXBPJD-UHFFFAOYSA-N
XLogP3.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(9aR)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-4-hydroxybenzonitrile
CID 125441982
(9aR)-2-[2-(methylamino)pyridine-4-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95121807
(9aR)-2-(2-methyl-1,8-naphthyridine-3-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95124845
2-(3-methyl-4-morpholin-4-ylbenzoyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50950838
3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide
CID 125157006
7-isoquinolin-4-yl-1H-quinolin-2-one
CID 167814827
[2-(hydroxymethyl)piperidin-1-yl]-(4-isoquinolin-4-ylphenyl)methanone
CID 119068023
2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50979999
(7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56857921
2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50978941
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
(9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 99933934

Frequently Asked Questions

What is the IUPAC name of 2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (CID 172672207) is 2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is O=C1NCCN2CCN(C(=O)c3ccc4cc(-c5cncc6ccccc56)ccc4c3)CC12.
What is the InChIKey of 2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The InChIKey is IPJUGXAFKXBPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c32-26-25-17-31(12-11-30(25)10-9-29-26)27(33)21-8-6-18-13-20(7-5-19(18)14-21)24-16-28-15-22-3-1-2-4-23(22)24/h1-8,13-16,25H,9-12,17H2,(H,29,32).
What are the key properties of 2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one has a molecular weight of 436.52 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-isoquinolin-4-ylnaphthalene-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 172672207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).