2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

C18H22N4O3 — CID 20880035

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)NCCN1CCOCC1
InChIInChI=1S/C18H22N4O3/c23-17(19-5-6-21-7-9-24-10-8-21)12-22-18-14(11-20-22)13-25-16-4-2-1-3-15(16)18/h1-4,11H,5-10,12-13H2,(H,19,23)
InChIKeyRQORIYBDZTWDEX-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.89
Rot. Bonds5

About 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 20880035) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID20880035
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)NCCN1CCOCC1
InChIInChI=1S/C18H22N4O3/c23-17(19-5-6-21-7-9-24-10-8-21)12-22-18-14(11-20-22)13-25-16-4-2-1-3-15(16)18/h1-4,11H,5-10,12-13H2,(H,19,23)
InChIKeyRQORIYBDZTWDEX-UHFFFAOYSA-N
XLogP0.89
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide 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 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 20880035) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is O=C(Cn1ncc2c1-c1ccccc1OC2)NCCN1CCOCC1.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is RQORIYBDZTWDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(19-5-6-21-7-9-24-10-8-21)12-22-18-14(11-20-22)13-25-16-4-2-1-3-15(16)18/h1-4,11H,5-10,12-13H2,(H,19,23).
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 20880035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).