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

C22H16F3N7O3 — CID 129234712

IUPAC6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)NCC(F)(F)F)cn4)nn23)no1
InChIInChI=1S/C22H16F3N7O3/c1-12-8-17(31-35-12)19-29-28-18-15-4-2-3-5-16(15)21(30-32(18)19)34-10-14-7-6-13(9-26-14)20(33)27-11-22(23,24)25/h2-9H,10-11H2,1H3,(H,27,33)
InChIKeyCANMPUPEFFLTCI-UHFFFAOYSA-N
MW483.41 g/mol
LogP3.51
Rot. Bonds6

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

6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 129234712) has the molecular formula C22H16F3N7O3 and a molecular weight of 483.41 g/mol. Its IUPAC name is 6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID129234712
Molecular FormulaC22H16F3N7O3
Molecular Weight483.41 g/mol
Exact Mass483.13
IUPAC Name6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)NCC(F)(F)F)cn4)nn23)no1
InChIInChI=1S/C22H16F3N7O3/c1-12-8-17(31-35-12)19-29-28-18-15-4-2-3-5-16(15)21(30-32(18)19)34-10-14-7-6-13(9-26-14)20(33)27-11-22(23,24)25/h2-9H,10-11H2,1H3,(H,27,33)
InChIKeyCANMPUPEFFLTCI-UHFFFAOYSA-N
XLogP3.51
TPSA120.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 129234712) is 6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is Cc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)NCC(F)(F)F)cn4)nn23)no1.
What is the InChIKey of 6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is CANMPUPEFFLTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N7O3/c1-12-8-17(31-35-12)19-29-28-18-15-4-2-3-5-16(15)21(30-32(18)19)34-10-14-7-6-13(9-26-14)20(33)27-11-22(23,24)25/h2-9H,10-11H2,1H3,(H,27,33).
What are the key properties of 6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 483.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 129234712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).