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

C17H19N5O2 — CID 67283623

IUPAC1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESCn1ccc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)n1
InChIInChI=1S/C17H19N5O2/c1-21-10-8-14(20-21)19-17(24)18-12-6-4-5-11-15(12)13-7-2-3-9-22(13)16(11)23/h4-6,8,10,13H,2-3,7,9H2,1H3,(H2,18,19,20,24)
InChIKeyYALCKKGYRIHSMK-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.74
Rot. Bonds2

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

1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (PubChem CID 67283623) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
PubChem CID67283623
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESCn1ccc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)n1
InChIInChI=1S/C17H19N5O2/c1-21-10-8-14(20-21)19-17(24)18-12-6-4-5-11-15(12)13-7-2-3-9-22(13)16(11)23/h4-6,8,10,13H,2-3,7,9H2,1H3,(H2,18,19,20,24)
InChIKeyYALCKKGYRIHSMK-UHFFFAOYSA-N
XLogP2.74
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (CID 67283623) is 1-(1-methylpyrazol-3-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-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea is Cn1ccc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The InChIKey is YALCKKGYRIHSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21-10-8-14(20-21)19-17(24)18-12-6-4-5-11-15(12)13-7-2-3-9-22(13)16(11)23/h4-6,8,10,13H,2-3,7,9H2,1H3,(H2,18,19,20,24).
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea has a molecular weight of 325.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea is sourced from PubChem (CID 67283623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).