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

C23H19F2N7O2 — CID 146490903

IUPAC5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4c(F)cccc4F)nc23)ccc1=O
InChIInChI=1S/C23H19F2N7O2/c1-12(2)31-11-13(6-7-18(31)33)19-20(22-27-8-9-34-22)29-23(26)32-21(19)28-17(30-32)10-14-15(24)4-3-5-16(14)25/h3-9,11-12H,10H2,1-2H3,(H2,26,29)
InChIKeyNIGKXRTZEVGHAE-UHFFFAOYSA-N
MW463.45 g/mol
LogP3.64
Rot. Bonds5

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

5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 146490903) has the molecular formula C23H19F2N7O2 and a molecular weight of 463.45 g/mol. Its IUPAC name is 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one
PubChem CID146490903
Molecular FormulaC23H19F2N7O2
Molecular Weight463.45 g/mol
Exact Mass463.16
IUPAC Name5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4c(F)cccc4F)nc23)ccc1=O
InChIInChI=1S/C23H19F2N7O2/c1-12(2)31-11-13(6-7-18(31)33)19-20(22-27-8-9-34-22)29-23(26)32-21(19)28-17(30-32)10-14-15(24)4-3-5-16(14)25/h3-9,11-12H,10H2,1-2H3,(H2,26,29)
InChIKeyNIGKXRTZEVGHAE-UHFFFAOYSA-N
XLogP3.64
TPSA117.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-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-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one (CID 146490903) is 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4c(F)cccc4F)nc23)ccc1=O.
What is the InChIKey of 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is NIGKXRTZEVGHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N7O2/c1-12(2)31-11-13(6-7-18(31)33)19-20(22-27-8-9-34-22)29-23(26)32-21(19)28-17(30-32)10-14-15(24)4-3-5-16(14)25/h3-9,11-12H,10H2,1-2H3,(H2,26,29).
What are the key properties of 5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one?
5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 463.45 g/mol, XLogP of 3.64, 5 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-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146490903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).