N-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C22H17FN8O2 — CID 118162661

IUPACN-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1cnc(-c2cnc3nc(-c4cc(NC(=O)c5oc(C)nc5C)ccc4F)nn3c2)cn1
InChIInChI=1S/C22H17FN8O2/c1-11-7-25-18(9-24-11)14-8-26-22-29-20(30-31(22)10-14)16-6-15(4-5-17(16)23)28-21(32)19-12(2)27-13(3)33-19/h4-10H,1-3H3,(H,28,32)
InChIKeyLFUDCUGGAVDJDG-UHFFFAOYSA-N
MW444.43 g/mol
LogP3.55
Rot. Bonds4

About N-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 118162661) has the molecular formula C22H17FN8O2 and a molecular weight of 444.43 g/mol. Its IUPAC name is N-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID118162661
Molecular FormulaC22H17FN8O2
Molecular Weight444.43 g/mol
Exact Mass444.15
IUPAC NameN-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1cnc(-c2cnc3nc(-c4cc(NC(=O)c5oc(C)nc5C)ccc4F)nn3c2)cn1
InChIInChI=1S/C22H17FN8O2/c1-11-7-25-18(9-24-11)14-8-26-22-29-20(30-31(22)10-14)16-6-15(4-5-17(16)23)28-21(32)19-12(2)27-13(3)33-19/h4-10H,1-3H3,(H,28,32)
InChIKeyLFUDCUGGAVDJDG-UHFFFAOYSA-N
XLogP3.55
TPSA123.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 118162661) is N-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1cnc(-c2cnc3nc(-c4cc(NC(=O)c5oc(C)nc5C)ccc4F)nn3c2)cn1.
What is the InChIKey of N-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is LFUDCUGGAVDJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN8O2/c1-11-7-25-18(9-24-11)14-8-26-22-29-20(30-31(22)10-14)16-6-15(4-5-17(16)23)28-21(32)19-12(2)27-13(3)33-19/h4-10H,1-3H3,(H,28,32).
What are the key properties of N-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 444.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[6-(5-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118162661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).