8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one

C25H28N8O3 — CID 160812533

IUPAC8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
SMILESNc1nccc2c1CC[C@H]2CC(=O)c1cn(Cc2ccc(N3CCN4C(=O)COCC4C3)nc2)nn1
InChIInChI=1S/C25H28N8O3/c26-25-20-3-2-17(19(20)5-6-27-25)9-22(34)21-13-32(30-29-21)11-16-1-4-23(28-10-16)31-7-8-33-18(12-31)14-36-15-24(33)35/h1,4-6,10,13,17-18H,2-3,7-9,11-12,14-15H2,(H2,26,27)/t17-,18?/m0/s1
InChIKeySEMGPFJQOYGXEY-ZENAZSQFSA-N
MW488.55 g/mol
LogP1.05
Rot. Bonds6

About 8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one

8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one (PubChem CID 160812533) has the molecular formula C25H28N8O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is 8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
PubChem CID160812533
Molecular FormulaC25H28N8O3
Molecular Weight488.55 g/mol
Exact Mass488.23
IUPAC Name8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
SMILESNc1nccc2c1CC[C@H]2CC(=O)c1cn(Cc2ccc(N3CCN4C(=O)COCC4C3)nc2)nn1
InChIInChI=1S/C25H28N8O3/c26-25-20-3-2-17(19(20)5-6-27-25)9-22(34)21-13-32(30-29-21)11-16-1-4-23(28-10-16)31-7-8-33-18(12-31)14-36-15-24(33)35/h1,4-6,10,13,17-18H,2-3,7-9,11-12,14-15H2,(H2,26,27)/t17-,18?/m0/s1
InChIKeySEMGPFJQOYGXEY-ZENAZSQFSA-N
XLogP1.05
TPSA132.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one with MolForge

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Related Compounds

1-[[6-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]triazole-4-carboxylic acid
CID 129097247
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazole-4-carboxylic acid
CID 156826184
2-[4-[[4-[2-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)acetyl]triazol-1-yl]methyl]phenyl]-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one
CID 147937112
6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carbaldehyde
CID 82863867
7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80637251
3-[1-[[6-[3-(2,4-dioxo-1,3-diazinan-1-yl)azetidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]propanal
CID 171799872
1-[[(3R)-1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95200964
2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862708
4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168701326
2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857162
1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 129097296
N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]triazole-4-carboxamide
CID 146564410

Frequently Asked Questions

What is the IUPAC name of 8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one?
The IUPAC name of 8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one (CID 160812533) is 8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one.
What is the SMILES notation for 8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one?
The canonical SMILES for 8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one is Nc1nccc2c1CC[C@H]2CC(=O)c1cn(Cc2ccc(N3CCN4C(=O)COCC4C3)nc2)nn1.
What is the InChIKey of 8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one?
The InChIKey is SEMGPFJQOYGXEY-ZENAZSQFSA-N. The full InChI is InChI=1S/C25H28N8O3/c26-25-20-3-2-17(19(20)5-6-27-25)9-22(34)21-13-32(30-29-21)11-16-1-4-23(28-10-16)31-7-8-33-18(12-31)14-36-15-24(33)35/h1,4-6,10,13,17-18H,2-3,7-9,11-12,14-15H2,(H2,26,27)/t17-,18?/m0/s1.
What are the key properties of 8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one?
8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one has a molecular weight of 488.55 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[[4-[2-[(5S)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetyl]triazol-1-yl]methyl]-2-pyridinyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one is sourced from PubChem (CID 160812533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).