2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one

C15H19N5O2 — CID 167860986

IUPAC2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one
SMILESNC[C@]12CCC[C@H]1CN(C(=O)c1cn3cc[nH]c(=O)c3n1)C2
InChIInChI=1S/C15H19N5O2/c16-8-15-3-1-2-10(15)6-20(9-15)14(22)11-7-19-5-4-17-13(21)12(19)18-11/h4-5,7,10H,1-3,6,8-9,16H2,(H,17,21)/t10-,15-/m0/s1
InChIKeyWCERALPWVXQZFO-BONVTDFDSA-N
MW301.35 g/mol
LogP0.22
Rot. Bonds2

About 2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one

2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one (PubChem CID 167860986) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one
PubChem CID167860986
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one
SMILESNC[C@]12CCC[C@H]1CN(C(=O)c1cn3cc[nH]c(=O)c3n1)C2
InChIInChI=1S/C15H19N5O2/c16-8-15-3-1-2-10(15)6-20(9-15)14(22)11-7-19-5-4-17-13(21)12(19)18-11/h4-5,7,10H,1-3,6,8-9,16H2,(H,17,21)/t10-,15-/m0/s1
InChIKeyWCERALPWVXQZFO-BONVTDFDSA-N
XLogP0.22
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one with MolForge

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Related Compounds

1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]prop-2-yn-1-one
CID 130597868
1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone
CID 164655788
7-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14988976
[(3aS,6aS)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 70742379
[3a-[(5-fluoropyrimidin-2-yl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(1H-pyrazol-5-yl)methanone
CID 155941276
[(3aS,6aS)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 72930329
[(3aS,6aS)-3a-(pyridin-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(5-methylpyrazin-2-yl)methanone
CID 97421592
1-[(3aR,7aR)-7a-(hydroxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]-2-aminoethanone
CID 129497799
[3a-[(5-fluoropyrimidin-2-yl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylpyridazin-3-yl)methanone
CID 155941347
(3aS,6aR)-2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682769
[(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone
CID 156532901
[(3aS,6aS)-3a-(pyridin-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-pyridin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155835365

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one (CID 167860986) is 2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one is NC[C@]12CCC[C@H]1CN(C(=O)c1cn3cc[nH]c(=O)c3n1)C2.
What is the InChIKey of 2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one?
The InChIKey is WCERALPWVXQZFO-BONVTDFDSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-8-15-3-1-2-10(15)6-20(9-15)14(22)11-7-19-5-4-17-13(21)12(19)18-11/h4-5,7,10H,1-3,6,8-9,16H2,(H,17,21)/t10-,15-/m0/s1.
What are the key properties of 2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one?
2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one has a molecular weight of 301.35 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-7H-imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 167860986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).