5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one

C22H17F2N7O2 — CID 146490674

IUPAC5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
SMILESCc1cnc(-c2nc(N)n3nc(Cc4c(F)cccc4F)nc3c2-c2ccc(=O)n(C)c2)o1
InChIInChI=1S/C22H17F2N7O2/c1-11-9-26-21(33-11)19-18(12-6-7-17(32)30(2)10-12)20-27-16(29-31(20)22(25)28-19)8-13-14(23)4-3-5-15(13)24/h3-7,9-10H,8H2,1-2H3,(H2,25,28)
InChIKeyJCQFWDWHRGLROT-UHFFFAOYSA-N
MW449.42 g/mol
LogP2.90
Rot. Bonds4

About 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one

5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one (PubChem CID 146490674) has the molecular formula C22H17F2N7O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
PubChem CID146490674
Molecular FormulaC22H17F2N7O2
Molecular Weight449.42 g/mol
Exact Mass449.14
IUPAC Name5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
SMILESCc1cnc(-c2nc(N)n3nc(Cc4c(F)cccc4F)nc3c2-c2ccc(=O)n(C)c2)o1
InChIInChI=1S/C22H17F2N7O2/c1-11-9-26-21(33-11)19-18(12-6-7-17(32)30(2)10-12)20-27-16(29-31(20)22(25)28-19)8-13-14(23)4-3-5-15(13)24/h3-7,9-10H,8H2,1-2H3,(H2,25,28)
InChIKeyJCQFWDWHRGLROT-UHFFFAOYSA-N
XLogP2.90
TPSA117.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one (CID 146490674) is 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one is Cc1cnc(-c2nc(N)n3nc(Cc4c(F)cccc4F)nc3c2-c2ccc(=O)n(C)c2)o1.
What is the InChIKey of 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
The InChIKey is JCQFWDWHRGLROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N7O2/c1-11-9-26-21(33-11)19-18(12-6-7-17(32)30(2)10-12)20-27-16(29-31(20)22(25)28-19)8-13-14(23)4-3-5-15(13)24/h3-7,9-10H,8H2,1-2H3,(H2,25,28).
What are the key properties of 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one has a molecular weight of 449.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(5-methyl-1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 146490674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).