N-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide

C18H22N8O3 — CID 54670187

IUPACN-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCOCCNC(=O)c1cn2nc(-c3cnc(C)nc3)nc(N3CCOCC3)c2n1
InChIInChI=1S/C18H22N8O3/c1-12-20-9-13(10-21-12)15-23-16(25-4-7-29-8-5-25)17-22-14(11-26(17)24-15)18(27)19-3-6-28-2/h9-11H,3-8H2,1-2H3,(H,19,27)
InChIKeyTWDPLEXDULFMLV-UHFFFAOYSA-N
MW398.43 g/mol
LogP0.10
Rot. Bonds6

About N-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide

N-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide (PubChem CID 54670187) has the molecular formula C18H22N8O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide
PubChem CID54670187
Molecular FormulaC18H22N8O3
Molecular Weight398.43 g/mol
Exact Mass398.18
IUPAC NameN-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCOCCNC(=O)c1cn2nc(-c3cnc(C)nc3)nc(N3CCOCC3)c2n1
InChIInChI=1S/C18H22N8O3/c1-12-20-9-13(10-21-12)15-23-16(25-4-7-29-8-5-25)17-22-14(11-26(17)24-15)18(27)19-3-6-28-2/h9-11H,3-8H2,1-2H3,(H,19,27)
InChIKeyTWDPLEXDULFMLV-UHFFFAOYSA-N
XLogP0.10
TPSA119.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide 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 N-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide (CID 54670187) is N-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide is COCCNC(=O)c1cn2nc(-c3cnc(C)nc3)nc(N3CCOCC3)c2n1.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide?
The InChIKey is TWDPLEXDULFMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O3/c1-12-20-9-13(10-21-12)15-23-16(25-4-7-29-8-5-25)17-22-14(11-26(17)24-15)18(27)19-3-6-28-2/h9-11H,3-8H2,1-2H3,(H,19,27).
What are the key properties of N-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide?
N-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide is sourced from PubChem (CID 54670187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).