2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

C16H19N5O2 — CID 50979999

IUPAC2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(C(=O)Cc3[nH]nc4ccccc34)CC12
InChIInChI=1S/C16H19N5O2/c22-15(9-13-11-3-1-2-4-12(11)18-19-13)21-8-7-20-6-5-17-16(23)14(20)10-21/h1-4,14H,5-10H2,(H,17,23)(H,18,19)
InChIKeyPVXSIOIQEMNZLS-UHFFFAOYSA-N
MW313.36 g/mol
LogP-0.25
Rot. Bonds2

About 2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (PubChem CID 50979999) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
PubChem CID50979999
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(C(=O)Cc3[nH]nc4ccccc34)CC12
InChIInChI=1S/C16H19N5O2/c22-15(9-13-11-3-1-2-4-12(11)18-19-13)21-8-7-20-6-5-17-16(23)14(20)10-21/h1-4,14H,5-10H2,(H,17,23)(H,18,19)
InChIKeyPVXSIOIQEMNZLS-UHFFFAOYSA-N
XLogP-0.25
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one with MolForge

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Related Compounds

Kw-2449
CID 11427553
Facinicline
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5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one
CID 57989460
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(1H-indazol-3-yl)ethane-1,2-dione
CID 6481410
Facinicline hydrochloride
CID 10380472
1H-Indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
CID 10062433
2-[6-(2H-indazol-3-ylmethyl)-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 11627577
6-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one
CID 50942419
6-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one
CID 53323198
[4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-(1-piperazinyl)methanone
CID 67089852
1H-Indazole-3-carboxylic acid [4-(piperidine-1-carbonyl)-phenyl]-amide
CID 86760649
1H-indazol-3-yl(piperidin-1-yl)methanone
CID 1505877

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (CID 50979999) is 2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is O=C1NCCN2CCN(C(=O)Cc3[nH]nc4ccccc34)CC12.
What is the InChIKey of 2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The InChIKey is PVXSIOIQEMNZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-15(9-13-11-3-1-2-4-12(11)18-19-13)21-8-7-20-6-5-17-16(23)14(20)10-21/h1-4,14H,5-10H2,(H,17,23)(H,18,19).
What are the key properties of 2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one has a molecular weight of 313.36 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 50979999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).