1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea

C18H19N5O2 — CID 46908049

IUPAC1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESCc1cnc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)cn1
InChIInChI=1S/C18H19N5O2/c1-11-9-20-15(10-19-11)22-18(25)21-13-6-4-5-12-16(13)14-7-2-3-8-23(14)17(12)24/h4-6,9-10,14H,2-3,7-8H2,1H3,(H2,20,21,22,25)
InChIKeyABTODZKWEKKTIC-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.11
Rot. Bonds2

About 1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea

1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (PubChem CID 46908049) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
PubChem CID46908049
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESCc1cnc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)cn1
InChIInChI=1S/C18H19N5O2/c1-11-9-20-15(10-19-11)22-18(25)21-13-6-4-5-12-16(13)14-7-2-3-8-23(14)17(12)24/h4-6,9-10,14H,2-3,7-8H2,1H3,(H2,20,21,22,25)
InChIKeyABTODZKWEKKTIC-UHFFFAOYSA-N
XLogP3.11
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The IUPAC name of 1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (CID 46908049) is 1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea is Cc1cnc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The InChIKey is ABTODZKWEKKTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-9-20-15(10-19-11)22-18(25)21-13-6-4-5-12-16(13)14-7-2-3-8-23(14)17(12)24/h4-6,9-10,14H,2-3,7-8H2,1H3,(H2,20,21,22,25).
What are the key properties of 1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea has a molecular weight of 337.38 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea is sourced from PubChem (CID 46908049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).