(6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one

C19H20N8O — CID 58405942

IUPAC(6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
SMILESCC[C@@]12CCCN1c1nc(-n3ccnc3-c3cnccn3)ncc1N(C)C2=O
InChIInChI=1S/C19H20N8O/c1-3-19-5-4-9-27(19)16-14(25(2)17(19)28)12-23-18(24-16)26-10-8-22-15(26)13-11-20-6-7-21-13/h6-8,10-12H,3-5,9H2,1-2H3/t19-/m0/s1
InChIKeyULAPXWISPDCMRE-IBGZPJMESA-N
MW376.42 g/mol
LogP1.84
Rot. Bonds3

About (6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one

(6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one (PubChem CID 58405942) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is (6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one.

Molecular Properties

Compound Name(6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
PubChem CID58405942
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name(6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
SMILESCC[C@@]12CCCN1c1nc(-n3ccnc3-c3cnccn3)ncc1N(C)C2=O
InChIInChI=1S/C19H20N8O/c1-3-19-5-4-9-27(19)16-14(25(2)17(19)28)12-23-18(24-16)26-10-8-22-15(26)13-11-20-6-7-21-13/h6-8,10-12H,3-5,9H2,1-2H3/t19-/m0/s1
InChIKeyULAPXWISPDCMRE-IBGZPJMESA-N
XLogP1.84
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one?
The IUPAC name of (6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one (CID 58405942) is (6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one.
What is the SMILES notation for (6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one?
The canonical SMILES for (6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one is CC[C@@]12CCCN1c1nc(-n3ccnc3-c3cnccn3)ncc1N(C)C2=O.
What is the InChIKey of (6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one?
The InChIKey is ULAPXWISPDCMRE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N8O/c1-3-19-5-4-9-27(19)16-14(25(2)17(19)28)12-23-18(24-16)26-10-8-22-15(26)13-11-20-6-7-21-13/h6-8,10-12H,3-5,9H2,1-2H3/t19-/m0/s1.
What are the key properties of (6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one?
(6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one has a molecular weight of 376.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-6a-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one is sourced from PubChem (CID 58405942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).