N-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine

C22H24FN5O3 — CID 118262810

IUPACN-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESCn1c2ccncc2c2ccc(Nc3cccc(OCCOCCOCCF)n3)nc21
InChIInChI=1S/C22H24FN5O3/c1-28-18-7-9-24-15-17(18)16-5-6-20(27-22(16)28)25-19-3-2-4-21(26-19)31-14-13-30-12-11-29-10-8-23/h2-7,9,15H,8,10-14H2,1H3,(H,25,26,27)
InChIKeyGAJYPPVAEAFWOH-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.64
Rot. Bonds11

About N-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine

N-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (PubChem CID 118262810) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine.

Molecular Properties

Compound NameN-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
PubChem CID118262810
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC NameN-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESCn1c2ccncc2c2ccc(Nc3cccc(OCCOCCOCCF)n3)nc21
InChIInChI=1S/C22H24FN5O3/c1-28-18-7-9-24-15-17(18)16-5-6-20(27-22(16)28)25-19-3-2-4-21(26-19)31-14-13-30-12-11-29-10-8-23/h2-7,9,15H,8,10-14H2,1H3,(H,25,26,27)
InChIKeyGAJYPPVAEAFWOH-UHFFFAOYSA-N
XLogP3.64
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The IUPAC name of N-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (CID 118262810) is N-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine.
What is the SMILES notation for N-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The canonical SMILES for N-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine is Cn1c2ccncc2c2ccc(Nc3cccc(OCCOCCOCCF)n3)nc21.
What is the InChIKey of N-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The InChIKey is GAJYPPVAEAFWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-28-18-7-9-24-15-17(18)16-5-6-20(27-22(16)28)25-19-3-2-4-21(26-19)31-14-13-30-12-11-29-10-8-23/h2-7,9,15H,8,10-14H2,1H3,(H,25,26,27).
What are the key properties of N-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
N-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine has a molecular weight of 425.46 g/mol, XLogP of 3.64, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine is sourced from PubChem (CID 118262810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).