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

C19H18FN5O2 — CID 118262752

IUPACN-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESFCCOCCOc1cncc(Nc2ccc3c(n2)[nH]c2ccncc23)c1
InChIInChI=1S/C19H18FN5O2/c20-4-6-26-7-8-27-14-9-13(10-22-11-14)23-18-2-1-15-16-12-21-5-3-17(16)24-19(15)25-18/h1-3,5,9-12H,4,6-8H2,(H2,23,24,25)
InChIKeyDIHQLIJFJAWNCE-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.61
Rot. Bonds8

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

N-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (PubChem CID 118262752) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-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-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
PubChem CID118262752
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC NameN-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESFCCOCCOc1cncc(Nc2ccc3c(n2)[nH]c2ccncc23)c1
InChIInChI=1S/C19H18FN5O2/c20-4-6-26-7-8-27-14-9-13(10-22-11-14)23-18-2-1-15-16-12-21-5-3-17(16)24-19(15)25-18/h1-3,5,9-12H,4,6-8H2,(H2,23,24,25)
InChIKeyDIHQLIJFJAWNCE-UHFFFAOYSA-N
XLogP3.61
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-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-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-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-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (CID 118262752) is N-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-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-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-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-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine is FCCOCCOc1cncc(Nc2ccc3c(n2)[nH]c2ccncc23)c1.
What is the InChIKey of N-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The InChIKey is DIHQLIJFJAWNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-4-6-26-7-8-27-14-9-13(10-22-11-14)23-18-2-1-15-16-12-21-5-3-17(16)24-19(15)25-18/h1-3,5,9-12H,4,6-8H2,(H2,23,24,25).
What are the key properties of N-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
N-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-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 367.38 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-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 118262752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).