[[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid

C17H26ClN5O5P2 — CID 155228233

IUPAC[[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid
SMILESOP(O)CP(O)OCC1CCC(c2cnc3c(NC4CCCCC4)nc(Cl)nn23)O1
InChIInChI=1S/C17H26ClN5O5P2/c18-17-21-15(20-11-4-2-1-3-5-11)16-19-8-13(23(16)22-17)14-7-6-12(28-14)9-27-30(26)10-29(24)25/h8,11-12,14,24-26H,1-7,9-10H2,(H,20,21,22)
InChIKeyBGOANAMIQSMHRZ-UHFFFAOYSA-N
MW477.83 g/mol
LogP3.32
Rot. Bonds8

About [[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid

[[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid (PubChem CID 155228233) has the molecular formula C17H26ClN5O5P2 and a molecular weight of 477.83 g/mol. Its IUPAC name is [[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid.

Molecular Properties

Compound Name[[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid
PubChem CID155228233
Molecular FormulaC17H26ClN5O5P2
Molecular Weight477.83 g/mol
Exact Mass477.11
IUPAC Name[[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid
SMILESOP(O)CP(O)OCC1CCC(c2cnc3c(NC4CCCCC4)nc(Cl)nn23)O1
InChIInChI=1S/C17H26ClN5O5P2/c18-17-21-15(20-11-4-2-1-3-5-11)16-19-8-13(23(16)22-17)14-7-6-12(28-14)9-27-30(26)10-29(24)25/h8,11-12,14,24-26H,1-7,9-10H2,(H,20,21,22)
InChIKeyBGOANAMIQSMHRZ-UHFFFAOYSA-N
XLogP3.32
TPSA134.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.83
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid 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 [[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid?
The IUPAC name of [[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid (CID 155228233) is [[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid.
What is the SMILES notation for [[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid?
The canonical SMILES for [[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid is OP(O)CP(O)OCC1CCC(c2cnc3c(NC4CCCCC4)nc(Cl)nn23)O1.
What is the InChIKey of [[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid?
The InChIKey is BGOANAMIQSMHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN5O5P2/c18-17-21-15(20-11-4-2-1-3-5-11)16-19-8-13(23(16)22-17)14-7-6-12(28-14)9-27-30(26)10-29(24)25/h8,11-12,14,24-26H,1-7,9-10H2,(H,20,21,22).
What are the key properties of [[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid?
[[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid has a molecular weight of 477.83 g/mol, XLogP of 3.32, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-[2-chloro-4-(cyclohexylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid is sourced from PubChem (CID 155228233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).