N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C24H23N7O — CID 169237778

IUPACN-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOCCNc1nc(-c2nccn2C)nn2cc(-c3ccncc3)c(-c3ccccc3)c12
InChIInChI=1S/C24H23N7O/c1-30-14-12-27-24(30)23-28-22(26-13-15-32-2)21-20(18-6-4-3-5-7-18)19(16-31(21)29-23)17-8-10-25-11-9-17/h3-12,14,16H,13,15H2,1-2H3,(H,26,28,29)
InChIKeyZKKNJNWKNUNZFC-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.92
Rot. Bonds7

About N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 169237778) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID169237778
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC NameN-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOCCNc1nc(-c2nccn2C)nn2cc(-c3ccncc3)c(-c3ccccc3)c12
InChIInChI=1S/C24H23N7O/c1-30-14-12-27-24(30)23-28-22(26-13-15-32-2)21-20(18-6-4-3-5-7-18)19(16-31(21)29-23)17-8-10-25-11-9-17/h3-12,14,16H,13,15H2,1-2H3,(H,26,28,29)
InChIKeyZKKNJNWKNUNZFC-UHFFFAOYSA-N
XLogP3.92
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 169237778) is N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is COCCNc1nc(-c2nccn2C)nn2cc(-c3ccncc3)c(-c3ccccc3)c12.
What is the InChIKey of N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ZKKNJNWKNUNZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-30-14-12-27-24(30)23-28-22(26-13-15-32-2)21-20(18-6-4-3-5-7-18)19(16-31(21)29-23)17-8-10-25-11-9-17/h3-12,14,16H,13,15H2,1-2H3,(H,26,28,29).
What are the key properties of N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 425.50 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 169237778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).