N-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine

C17H18FN7O — CID 170642895

IUPACN-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1nc(NCC(C)(C)F)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C17H18FN7O/c1-17(2,18)10-21-15-22-14(26-3)13-12(4-6-25(13)23-15)11-8-20-16-19-5-7-24(16)9-11/h4-9H,10H2,1-3H3,(H,21,23)
InChIKeyIBJBPUMSJROJJO-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.61
Rot. Bonds5

About N-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine

N-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 170642895) has the molecular formula C17H18FN7O and a molecular weight of 355.38 g/mol. Its IUPAC name is N-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID170642895
Molecular FormulaC17H18FN7O
Molecular Weight355.38 g/mol
Exact Mass355.16
IUPAC NameN-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1nc(NCC(C)(C)F)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C17H18FN7O/c1-17(2,18)10-21-15-22-14(26-3)13-12(4-6-25(13)23-15)11-8-20-16-19-5-7-24(16)9-11/h4-9H,10H2,1-3H3,(H,21,23)
InChIKeyIBJBPUMSJROJJO-UHFFFAOYSA-N
XLogP2.61
TPSA81.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine 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-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of N-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 170642895) is N-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for N-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for N-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1nc(NCC(C)(C)F)nn2ccc(-c3cnc4nccn4c3)c12.
What is the InChIKey of N-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is IBJBPUMSJROJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O/c1-17(2,18)10-21-15-22-14(26-3)13-12(4-6-25(13)23-15)11-8-20-16-19-5-7-24(16)9-11/h4-9H,10H2,1-3H3,(H,21,23).
What are the key properties of N-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
N-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 355.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-methylpropyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 170642895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).