2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine

C28H25ClFN5O — CID 56592296

IUPAC2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C28H25ClFN5O/c1-3-35(4-2)12-13-36-28-24-16-31-11-9-19(24)23(17-33-28)21-15-26(22-14-18(29)7-8-25(22)30)34-27-20(21)6-5-10-32-27/h5-11,14-17H,3-4,12-13H2,1-2H3
InChIKeyCPVPYSFWRGQTHF-UHFFFAOYSA-N
MW501.99 g/mol
LogP6.42
Rot. Bonds8

About 2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine

2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine (PubChem CID 56592296) has the molecular formula C28H25ClFN5O and a molecular weight of 501.99 g/mol. Its IUPAC name is 2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine
PubChem CID56592296
Molecular FormulaC28H25ClFN5O
Molecular Weight501.99 g/mol
Exact Mass501.17
IUPAC Name2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C28H25ClFN5O/c1-3-35(4-2)12-13-36-28-24-16-31-11-9-19(24)23(17-33-28)21-15-26(22-14-18(29)7-8-25(22)30)34-27-20(21)6-5-10-32-27/h5-11,14-17H,3-4,12-13H2,1-2H3
InChIKeyCPVPYSFWRGQTHF-UHFFFAOYSA-N
XLogP6.42
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.99
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine 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-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine?
The IUPAC name of 2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine (CID 56592296) is 2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine is CCN(CC)CCOc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine?
The InChIKey is CPVPYSFWRGQTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClFN5O/c1-3-35(4-2)12-13-36-28-24-16-31-11-9-19(24)23(17-33-28)21-15-26(22-14-18(29)7-8-25(22)30)34-27-20(21)6-5-10-32-27/h5-11,14-17H,3-4,12-13H2,1-2H3.
What are the key properties of 2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine?
2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine has a molecular weight of 501.99 g/mol, XLogP of 6.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine is sourced from PubChem (CID 56592296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).