2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine

C27H23N5O2 — CID 24960031

IUPAC2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine
SMILESNC1(c2ccc(-c3nc4ccn5cnnc5c4cc3-c3ccccc3)cc2)CC2(C1)OCCO2
InChIInChI=1S/C27H23N5O2/c28-26(15-27(16-26)33-12-13-34-27)20-8-6-19(7-9-20)24-21(18-4-2-1-3-5-18)14-22-23(30-24)10-11-32-17-29-31-25(22)32/h1-11,14,17H,12-13,15-16,28H2
InChIKeyULWOFINAWPYBIO-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.30
Rot. Bonds3

About 2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine

2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine (PubChem CID 24960031) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine.

Molecular Properties

Compound Name2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine
PubChem CID24960031
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC Name2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine
SMILESNC1(c2ccc(-c3nc4ccn5cnnc5c4cc3-c3ccccc3)cc2)CC2(C1)OCCO2
InChIInChI=1S/C27H23N5O2/c28-26(15-27(16-26)33-12-13-34-27)20-8-6-19(7-9-20)24-21(18-4-2-1-3-5-18)14-22-23(30-24)10-11-32-17-29-31-25(22)32/h1-11,14,17H,12-13,15-16,28H2
InChIKeyULWOFINAWPYBIO-UHFFFAOYSA-N
XLogP4.30
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-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 2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine?
The IUPAC name of 2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine (CID 24960031) is 2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine.
What is the SMILES notation for 2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine?
The canonical SMILES for 2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine is NC1(c2ccc(-c3nc4ccn5cnnc5c4cc3-c3ccccc3)cc2)CC2(C1)OCCO2.
What is the InChIKey of 2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine?
The InChIKey is ULWOFINAWPYBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c28-26(15-27(16-26)33-12-13-34-27)20-8-6-19(7-9-20)24-21(18-4-2-1-3-5-18)14-22-23(30-24)10-11-32-17-29-31-25(22)32/h1-11,14,17H,12-13,15-16,28H2.
What are the key properties of 2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine?
2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine has a molecular weight of 449.51 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine is sourced from PubChem (CID 24960031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).