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

C22H19FN6O — CID 156536553

IUPAC4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cncc2c1CCCN2c1nc2nncn2c2ccc(F)cc12
InChIInChI=1S/C22H19FN6O/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,3-4,9H2,1-2H3
InChIKeyBOLIGUWRHOYXLZ-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.02
Rot. Bonds1

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-methylbut-3-yn-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-methylbut-3-yn-2-ol (PubChem CID 156536553) has the molecular formula C22H19FN6O and a molecular weight of 402.43 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-methylbut-3-yn-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-methylbut-3-yn-2-ol
PubChem CID156536553
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
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-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cncc2c1CCCN2c1nc2nncn2c2ccc(F)cc12
InChIInChI=1S/C22H19FN6O/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,3-4,9H2,1-2H3
InChIKeyBOLIGUWRHOYXLZ-UHFFFAOYSA-N
XLogP3.02
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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-methylbut-3-yn-2-ol with MolForge

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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-methylbut-3-yn-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-methylbut-3-yn-2-ol (CID 156536553) 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-methylbut-3-yn-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-methylbut-3-yn-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-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1cncc2c1CCCN2c1nc2nncn2c2ccc(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-methylbut-3-yn-2-ol?
The InChIKey is BOLIGUWRHOYXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/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,3-4,9H2,1-2H3.
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-methylbut-3-yn-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-methylbut-3-yn-2-ol has a molecular weight of 402.43 g/mol, XLogP of 3.02, 1 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-methylbut-3-yn-2-ol is sourced from PubChem (CID 156536553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).