6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide

C24H20F3N7O4 — CID 139493835

IUPAC6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
SMILESCOCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)NCCC(F)(F)F)cn4)nn23)no1
InChIInChI=1S/C24H20F3N7O4/c1-36-13-16-10-19(33-38-16)21-31-30-20-17-4-2-3-5-18(17)23(32-34(20)21)37-12-15-7-6-14(11-29-15)22(35)28-9-8-24(25,26)27/h2-7,10-11H,8-9,12-13H2,1H3,(H,28,35)
InChIKeyWFYDUTUHXDTMJE-UHFFFAOYSA-N
MW527.46 g/mol
LogP3.74
Rot. Bonds9

About 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide

6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide (PubChem CID 139493835) has the molecular formula C24H20F3N7O4 and a molecular weight of 527.46 g/mol. Its IUPAC name is 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
PubChem CID139493835
Molecular FormulaC24H20F3N7O4
Molecular Weight527.46 g/mol
Exact Mass527.15
IUPAC Name6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
SMILESCOCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)NCCC(F)(F)F)cn4)nn23)no1
InChIInChI=1S/C24H20F3N7O4/c1-36-13-16-10-19(33-38-16)21-31-30-20-17-4-2-3-5-18(17)23(32-34(20)21)37-12-15-7-6-14(11-29-15)22(35)28-9-8-24(25,26)27/h2-7,10-11H,8-9,12-13H2,1H3,(H,28,35)
InChIKeyWFYDUTUHXDTMJE-UHFFFAOYSA-N
XLogP3.74
TPSA129.56 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide 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 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide (CID 139493835) is 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide is COCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)NCCC(F)(F)F)cn4)nn23)no1.
What is the InChIKey of 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
The InChIKey is WFYDUTUHXDTMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O4/c1-36-13-16-10-19(33-38-16)21-31-30-20-17-4-2-3-5-18(17)23(32-34(20)21)37-12-15-7-6-14(11-29-15)22(35)28-9-8-24(25,26)27/h2-7,10-11H,8-9,12-13H2,1H3,(H,28,35).
What are the key properties of 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide has a molecular weight of 527.46 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide is sourced from PubChem (CID 139493835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).