4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol

C24H32N6O3 — CID 155178724

IUPAC4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
SMILESCOCCNc1ncc2c(-c3ccnc(N4CCOCC4)c3)cc(C3CCC(O)CC3)n2n1
InChIInChI=1S/C24H32N6O3/c1-32-11-8-26-24-27-16-22-20(15-21(30(22)28-24)17-2-4-19(31)5-3-17)18-6-7-25-23(14-18)29-9-12-33-13-10-29/h6-7,14-17,19,31H,2-5,8-13H2,1H3,(H,26,28)
InChIKeyGDTYPHXNSHNSPZ-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.70
Rot. Bonds7

About 4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol

4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol (PubChem CID 155178724) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
PubChem CID155178724
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
SMILESCOCCNc1ncc2c(-c3ccnc(N4CCOCC4)c3)cc(C3CCC(O)CC3)n2n1
InChIInChI=1S/C24H32N6O3/c1-32-11-8-26-24-27-16-22-20(15-21(30(22)28-24)17-2-4-19(31)5-3-17)18-6-7-25-23(14-18)29-9-12-33-13-10-29/h6-7,14-17,19,31H,2-5,8-13H2,1H3,(H,26,28)
InChIKeyGDTYPHXNSHNSPZ-UHFFFAOYSA-N
XLogP2.70
TPSA97.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol 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 4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol (CID 155178724) is 4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol is COCCNc1ncc2c(-c3ccnc(N4CCOCC4)c3)cc(C3CCC(O)CC3)n2n1.
What is the InChIKey of 4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
The InChIKey is GDTYPHXNSHNSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-32-11-8-26-24-27-16-22-20(15-21(30(22)28-24)17-2-4-19(31)5-3-17)18-6-7-25-23(14-18)29-9-12-33-13-10-29/h6-7,14-17,19,31H,2-5,8-13H2,1H3,(H,26,28).
What are the key properties of 4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol has a molecular weight of 452.56 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol is sourced from PubChem (CID 155178724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).