2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C18H23IN6 — CID 163807506

IUPAC2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC1=NC(C)C(C)n2nc(CCc3ccc4c(n3)NC(I)CC4)nc21
InChIInChI=1S/C18H23IN6/c1-10-12(3)25-18(11(2)20-10)23-16(24-25)9-7-14-6-4-13-5-8-15(19)22-17(13)21-14/h4,6,10,12,15H,5,7-9H2,1-3H3,(H,21,22)
InChIKeyNKHLJLDBLQEGGC-UHFFFAOYSA-N
MW450.33 g/mol
LogP3.35
Rot. Bonds3

About 2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 163807506) has the molecular formula C18H23IN6 and a molecular weight of 450.33 g/mol. Its IUPAC name is 2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID163807506
Molecular FormulaC18H23IN6
Molecular Weight450.33 g/mol
Exact Mass450.10
IUPAC Name2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC1=NC(C)C(C)n2nc(CCc3ccc4c(n3)NC(I)CC4)nc21
InChIInChI=1S/C18H23IN6/c1-10-12(3)25-18(11(2)20-10)23-16(24-25)9-7-14-6-4-13-5-8-15(19)22-17(13)21-14/h4,6,10,12,15H,5,7-9H2,1-3H3,(H,21,22)
InChIKeyNKHLJLDBLQEGGC-UHFFFAOYSA-N
XLogP3.35
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine 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 2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 163807506) is 2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is CC1=NC(C)C(C)n2nc(CCc3ccc4c(n3)NC(I)CC4)nc21.
What is the InChIKey of 2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is NKHLJLDBLQEGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23IN6/c1-10-12(3)25-18(11(2)20-10)23-16(24-25)9-7-14-6-4-13-5-8-15(19)22-17(13)21-14/h4,6,10,12,15H,5,7-9H2,1-3H3,(H,21,22).
What are the key properties of 2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 450.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-7-[2-(5,6,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 163807506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).