4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol

C22H23FN6O — CID 156557348

IUPAC4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1cncc2c1CCCN2c1nc2nncn2c2ccc(F)cc12
InChIInChI=1S/C22H23FN6O/c1-22(2,30)8-7-14-11-24-12-19-16(14)4-3-9-28(19)20-17-10-15(23)5-6-18(17)29-13-25-27-21(29)26-20/h5-6,10-13,30H,3-4,7-9H2,1-2H3
InChIKeyQWOOVMSPZDLNBR-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.60
Rot. Bonds4

About 4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol

4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol (PubChem CID 156557348) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol
PubChem CID156557348
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1cncc2c1CCCN2c1nc2nncn2c2ccc(F)cc12
InChIInChI=1S/C22H23FN6O/c1-22(2,30)8-7-14-11-24-12-19-16(14)4-3-9-28(19)20-17-10-15(23)5-6-18(17)29-13-25-27-21(29)26-20/h5-6,10-13,30H,3-4,7-9H2,1-2H3
InChIKeyQWOOVMSPZDLNBR-UHFFFAOYSA-N
XLogP3.60
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol 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-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol (CID 156557348) is 4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol is CC(C)(O)CCc1cncc2c1CCCN2c1nc2nncn2c2ccc(F)cc12.
What is the InChIKey of 4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol?
The InChIKey is QWOOVMSPZDLNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-22(2,30)8-7-14-11-24-12-19-16(14)4-3-9-28(19)20-17-10-15(23)5-6-18(17)29-13-25-27-21(29)26-20/h5-6,10-13,30H,3-4,7-9H2,1-2H3.
What are the key properties of 4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol?
4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol has a molecular weight of 406.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 156557348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).