4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine

C27H23ClFN7O — CID 67365067

IUPAC4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cn(CCN4CCOCC4)nn3)c2)c2cccnc2n1
InChIInChI=1S/C27H23ClFN7O/c28-20-3-4-24(29)23(13-20)25-14-22(21-2-1-5-31-27(21)32-25)18-12-19(16-30-15-18)26-17-36(34-33-26)7-6-35-8-10-37-11-9-35/h1-5,12-17H,6-11H2
InChIKeyWCZFOUOXNDCQMZ-UHFFFAOYSA-N
MW515.98 g/mol
LogP4.74
Rot. Bonds6

About 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine

4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine (PubChem CID 67365067) has the molecular formula C27H23ClFN7O and a molecular weight of 515.98 g/mol. Its IUPAC name is 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine
PubChem CID67365067
Molecular FormulaC27H23ClFN7O
Molecular Weight515.98 g/mol
Exact Mass515.16
IUPAC Name4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cn(CCN4CCOCC4)nn3)c2)c2cccnc2n1
InChIInChI=1S/C27H23ClFN7O/c28-20-3-4-24(29)23(13-20)25-14-22(21-2-1-5-31-27(21)32-25)18-12-19(16-30-15-18)26-17-36(34-33-26)7-6-35-8-10-37-11-9-35/h1-5,12-17H,6-11H2
InChIKeyWCZFOUOXNDCQMZ-UHFFFAOYSA-N
XLogP4.74
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.98
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine 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 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine (CID 67365067) is 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine is Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cn(CCN4CCOCC4)nn3)c2)c2cccnc2n1.
What is the InChIKey of 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine?
The InChIKey is WCZFOUOXNDCQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN7O/c28-20-3-4-24(29)23(13-20)25-14-22(21-2-1-5-31-27(21)32-25)18-12-19(16-30-15-18)26-17-36(34-33-26)7-6-35-8-10-37-11-9-35/h1-5,12-17H,6-11H2.
What are the key properties of 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine?
4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine has a molecular weight of 515.98 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]triazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 67365067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).