1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea

C17H17N5O3 — CID 67471497

IUPAC1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1cccc2c1C1CC(O)CCN1C2=O
InChIInChI=1S/C17H17N5O3/c23-10-4-7-22-13(8-10)15-11(16(22)24)2-1-3-12(15)20-17(25)21-14-9-18-5-6-19-14/h1-3,5-6,9-10,13,23H,4,7-8H2,(H2,19,20,21,25)
InChIKeyPFDVIMSWMQLRQB-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.77
Rot. Bonds2

About 1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea

1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea (PubChem CID 67471497) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea
PubChem CID67471497
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1cccc2c1C1CC(O)CCN1C2=O
InChIInChI=1S/C17H17N5O3/c23-10-4-7-22-13(8-10)15-11(16(22)24)2-1-3-12(15)20-17(25)21-14-9-18-5-6-19-14/h1-3,5-6,9-10,13,23H,4,7-8H2,(H2,19,20,21,25)
InChIKeyPFDVIMSWMQLRQB-UHFFFAOYSA-N
XLogP1.77
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea (CID 67471497) is 1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea is O=C(Nc1cnccn1)Nc1cccc2c1C1CC(O)CCN1C2=O.
What is the InChIKey of 1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea?
The InChIKey is PFDVIMSWMQLRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-10-4-7-22-13(8-10)15-11(16(22)24)2-1-3-12(15)20-17(25)21-14-9-18-5-6-19-14/h1-3,5-6,9-10,13,23H,4,7-8H2,(H2,19,20,21,25).
What are the key properties of 1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea?
1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea has a molecular weight of 339.36 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 67471497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).