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

C20H22N4O4 — CID 71512436

IUPAC1-[5-(methoxymethoxy)-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESCOCOc1ccc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)nc1
InChIInChI=1S/C20H22N4O4/c1-27-12-28-13-8-9-17(21-11-13)23-20(26)22-15-6-4-5-14-18(15)16-7-2-3-10-24(16)19(14)25/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3,(H2,21,22,23,26)
InChIKeyDRMQWULVGFHEQM-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.39
Rot. Bonds5

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

1-[5-(methoxymethoxy)-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (PubChem CID 71512436) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-[5-(methoxymethoxy)-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea.

Molecular Properties

Compound Name1-[5-(methoxymethoxy)-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
PubChem CID71512436
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name1-[5-(methoxymethoxy)-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESCOCOc1ccc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)nc1
InChIInChI=1S/C20H22N4O4/c1-27-12-28-13-8-9-17(21-11-13)23-20(26)22-15-6-4-5-14-18(15)16-7-2-3-10-24(16)19(14)25/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3,(H2,21,22,23,26)
InChIKeyDRMQWULVGFHEQM-UHFFFAOYSA-N
XLogP3.39
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[5-(methoxymethoxy)-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethoxy)-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The IUPAC name of 1-[5-(methoxymethoxy)-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (CID 71512436) is 1-[5-(methoxymethoxy)-2-pyridinyl]-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-(methoxymethoxy)-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The canonical SMILES for 1-[5-(methoxymethoxy)-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea is COCOc1ccc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)nc1.
What is the InChIKey of 1-[5-(methoxymethoxy)-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The InChIKey is DRMQWULVGFHEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-27-12-28-13-8-9-17(21-11-13)23-20(26)22-15-6-4-5-14-18(15)16-7-2-3-10-24(16)19(14)25/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3,(H2,21,22,23,26).
What are the key properties of 1-[5-(methoxymethoxy)-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
1-[5-(methoxymethoxy)-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea has a molecular weight of 382.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethoxy)-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea is sourced from PubChem (CID 71512436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).