7-fluoro-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline

C23H19FN6 — CID 156557211

IUPAC7-fluoro-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCC1(C#Cc2ccnc3c2CCCN3c2nc3nncn3c3ccc(F)cc23)CC1
InChIInChI=1S/C23H19FN6/c1-23(9-10-23)8-6-15-7-11-25-20-17(15)3-2-12-29(20)21-18-13-16(24)4-5-19(18)30-14-26-28-22(30)27-21/h4-5,7,11,13-14H,2-3,9-10,12H2,1H3
InChIKeyAFKCNONIBQINFF-UHFFFAOYSA-N
MW398.45 g/mol
LogP4.05
Rot. Bonds1

About 7-fluoro-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline

7-fluoro-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline (PubChem CID 156557211) has the molecular formula C23H19FN6 and a molecular weight of 398.45 g/mol. Its IUPAC name is 7-fluoro-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline.

Molecular Properties

Compound Name7-fluoro-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
PubChem CID156557211
Molecular FormulaC23H19FN6
Molecular Weight398.45 g/mol
Exact Mass398.17
IUPAC Name7-fluoro-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCC1(C#Cc2ccnc3c2CCCN3c2nc3nncn3c3ccc(F)cc23)CC1
InChIInChI=1S/C23H19FN6/c1-23(9-10-23)8-6-15-7-11-25-20-17(15)3-2-12-29(20)21-18-13-16(24)4-5-19(18)30-14-26-28-22(30)27-21/h4-5,7,11,13-14H,2-3,9-10,12H2,1H3
InChIKeyAFKCNONIBQINFF-UHFFFAOYSA-N
XLogP4.05
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.05
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-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-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-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?
The IUPAC name of 7-fluoro-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline (CID 156557211) is 7-fluoro-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline.
What is the SMILES notation for 7-fluoro-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?
The canonical SMILES for 7-fluoro-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline is CC1(C#Cc2ccnc3c2CCCN3c2nc3nncn3c3ccc(F)cc23)CC1.
What is the InChIKey of 7-fluoro-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?
The InChIKey is AFKCNONIBQINFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6/c1-23(9-10-23)8-6-15-7-11-25-20-17(15)3-2-12-29(20)21-18-13-16(24)4-5-19(18)30-14-26-28-22(30)27-21/h4-5,7,11,13-14H,2-3,9-10,12H2,1H3.
What are the key properties of 7-fluoro-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?
7-fluoro-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline has a molecular weight of 398.45 g/mol, XLogP of 4.05, 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-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline is sourced from PubChem (CID 156557211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).