7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline

C23H16F4N6 — CID 165380452

IUPAC7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
SMILESFc1ccc2c(c1)c(N1CCCc3c(C#CC4(C(F)(F)F)CC4)cncc31)nc1nncn12
InChIInChI=1S/C23H16F4N6/c24-15-3-4-18-17(10-15)20(30-21-31-29-13-33(18)21)32-9-1-2-16-14(11-28-12-19(16)32)5-6-22(7-8-22)23(25,26)27/h3-4,10-13H,1-2,7-9H2
InChIKeyJLCIRCHFKIBAAW-UHFFFAOYSA-N
MW452.42 g/mol
LogP4.59
Rot. Bonds1

About 7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline

7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline (PubChem CID 165380452) has the molecular formula C23H16F4N6 and a molecular weight of 452.42 g/mol. Its IUPAC name is 7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline.

Molecular Properties

Compound Name7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
PubChem CID165380452
Molecular FormulaC23H16F4N6
Molecular Weight452.42 g/mol
Exact Mass452.14
IUPAC Name7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
SMILESFc1ccc2c(c1)c(N1CCCc3c(C#CC4(C(F)(F)F)CC4)cncc31)nc1nncn12
InChIInChI=1S/C23H16F4N6/c24-15-3-4-18-17(10-15)20(30-21-31-29-13-33(18)21)32-9-1-2-16-14(11-28-12-19(16)32)5-6-22(7-8-22)23(25,26)27/h3-4,10-13H,1-2,7-9H2
InChIKeyJLCIRCHFKIBAAW-UHFFFAOYSA-N
XLogP4.59
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline 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 7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?
The IUPAC name of 7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline (CID 165380452) is 7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline.
What is the SMILES notation for 7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?
The canonical SMILES for 7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline is Fc1ccc2c(c1)c(N1CCCc3c(C#CC4(C(F)(F)F)CC4)cncc31)nc1nncn12.
What is the InChIKey of 7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?
The InChIKey is JLCIRCHFKIBAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N6/c24-15-3-4-18-17(10-15)20(30-21-31-29-13-33(18)21)32-9-1-2-16-14(11-28-12-19(16)32)5-6-22(7-8-22)23(25,26)27/h3-4,10-13H,1-2,7-9H2.
What are the key properties of 7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?
7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline has a molecular weight of 452.42 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline is sourced from PubChem (CID 165380452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).