6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine

C21H17FN8O — CID 71621529

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
SMILESCc1noc(C)c1-c1nnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
InChIInChI=1S/C21H17FN8O/c1-11-16(12(2)31-29-11)18-19(23)25-20(27-26-18)17-14-7-5-9-24-21(14)30(28-17)10-13-6-3-4-8-15(13)22/h3-9H,10H2,1-2H3,(H2,23,25,27)
InChIKeyYCUUCQOMEDGCKI-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.32
Rot. Bonds4

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine (PubChem CID 71621529) has the molecular formula C21H17FN8O and a molecular weight of 416.42 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
PubChem CID71621529
Molecular FormulaC21H17FN8O
Molecular Weight416.42 g/mol
Exact Mass416.15
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
SMILESCc1noc(C)c1-c1nnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
InChIInChI=1S/C21H17FN8O/c1-11-16(12(2)31-29-11)18-19(23)25-20(27-26-18)17-14-7-5-9-24-21(14)30(28-17)10-13-6-3-4-8-15(13)22/h3-9H,10H2,1-2H3,(H2,23,25,27)
InChIKeyYCUUCQOMEDGCKI-UHFFFAOYSA-N
XLogP3.32
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine (CID 71621529) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine is Cc1noc(C)c1-c1nnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine?
The InChIKey is YCUUCQOMEDGCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN8O/c1-11-16(12(2)31-29-11)18-19(23)25-20(27-26-18)17-14-7-5-9-24-21(14)30(28-17)10-13-6-3-4-8-15(13)22/h3-9H,10H2,1-2H3,(H2,23,25,27).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine has a molecular weight of 416.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 71621529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).