1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea

C19H19N5O4 — CID 67134967

IUPAC1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1cccc2c1C1CC3(CCN1C2=O)OCCO3
InChIInChI=1S/C19H19N5O4/c25-17-12-2-1-3-13(22-18(26)23-15-11-20-5-6-21-15)16(12)14-10-19(4-7-24(14)17)27-8-9-28-19/h1-3,5-6,11,14H,4,7-10H2,(H2,21,22,23,26)
InChIKeyDATQQCAISHVBKS-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.15
Rot. Bonds2

About 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea

1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea (PubChem CID 67134967) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea
PubChem CID67134967
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1cccc2c1C1CC3(CCN1C2=O)OCCO3
InChIInChI=1S/C19H19N5O4/c25-17-12-2-1-3-13(22-18(26)23-15-11-20-5-6-21-15)16(12)14-10-19(4-7-24(14)17)27-8-9-28-19/h1-3,5-6,11,14H,4,7-10H2,(H2,21,22,23,26)
InChIKeyDATQQCAISHVBKS-UHFFFAOYSA-N
XLogP2.15
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea (CID 67134967) is 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea is O=C(Nc1cnccn1)Nc1cccc2c1C1CC3(CCN1C2=O)OCCO3.
What is the InChIKey of 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea?
The InChIKey is DATQQCAISHVBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c25-17-12-2-1-3-13(22-18(26)23-15-11-20-5-6-21-15)16(12)14-10-19(4-7-24(14)17)27-8-9-28-19/h1-3,5-6,11,14H,4,7-10H2,(H2,21,22,23,26).
What are the key properties of 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea?
1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea has a molecular weight of 381.39 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 67134967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).