deuterio(fluoro)methane;N-[4-fluoro-3-(6-pyridin-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-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide;methane

C48H45F3N14O4 — CID 157140900

About deuterio(fluoro)methane;N-[4-fluoro-3-(6-pyridin-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-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide;methane

deuterio(fluoro)methane;N-[4-fluoro-3-(6-pyridin-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-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide;methane (PubChem CID 157140900) has the molecular formula C48H45F3N14O4 and a molecular weight of 939.98 g/mol. Its IUPAC name is deuterio(fluoro)methane;N-[4-fluoro-3-(6-pyridin-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-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide;methane.

Molecular Properties

• Compound Name: deuterio(fluoro)methane;N-[4-fluoro-3-(6-pyridin-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-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide;methane
• PubChem CID: 157140900
• Molecular Formula: C48H45F3N14O4
• Molecular Weight: 939.98 g/mol
• Exact Mass: 939.38
• IUPAC Name: deuterio(fluoro)methane;N-[4-fluoro-3-(6-pyridin-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-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide;methane
• SMILES: C.C.Cc1nc(C)c(C(=O)N(C)c2ccc(F)c(-c3nc4ncc(-c5ccccn5)cn4n3)c2)o1.Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5ccccn5)cn4n3)c2)o1.[2H]CF
• InChI: InChI=1S/C23H18FN7O2.C22H16FN7O2.CH3F.2CH4/c1-13-20(33-14(2)27-13)22(32)30(3)16-7-8-18(24)17(10-16)21-28-23-26-11-15(12-31(23)29-21)19-6-4-5-9-25-19;1-12-19(32-13(2)26-12)21(31)27-15-6-7-17(23)16(9-15)20-28-22-25-10-14(11-30(22)29-20)18-5-3-4-8-24-18;1-2;;/h4-12H,1-3H3;3-11H,1-2H3,(H,27,31);1H3;2*1H4/i;;1D
• InChIKey: AKEDBFDGDDRPBK-JCJDDGPNSA-N
• XLogP: 9.58
• TPSA: 213.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	939.98
LogP ≤ 5	9.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;N-[4-fluoro-3-(6-pyridin-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-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide;methane?

The IUPAC name of deuterio(fluoro)methane;N-[4-fluoro-3-(6-pyridin-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-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide;methane (CID 157140900) is deuterio(fluoro)methane;N-[4-fluoro-3-(6-pyridin-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-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide;methane.

What is the SMILES notation for deuterio(fluoro)methane;N-[4-fluoro-3-(6-pyridin-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-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide;methane?

The canonical SMILES for deuterio(fluoro)methane;N-[4-fluoro-3-(6-pyridin-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-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide;methane is C.C.Cc1nc(C)c(C(=O)N(C)c2ccc(F)c(-c3nc4ncc(-c5ccccn5)cn4n3)c2)o1.Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5ccccn5)cn4n3)c2)o1.[2H]CF.

What is the InChIKey of deuterio(fluoro)methane;N-[4-fluoro-3-(6-pyridin-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-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide;methane?

The InChIKey is AKEDBFDGDDRPBK-JCJDDGPNSA-N. The full InChI is InChI=1S/C23H18FN7O2.C22H16FN7O2.CH3F.2CH4/c1-13-20(33-14(2)27-13)22(32)30(3)16-7-8-18(24)17(10-16)21-28-23-26-11-15(12-31(23)29-21)19-6-4-5-9-25-19;1-12-19(32-13(2)26-12)21(31)27-15-6-7-17(23)16(9-15)20-28-22-25-10-14(11-30(22)29-20)18-5-3-4-8-24-18;1-2;;/h4-12H,1-3H3;3-11H,1-2H3,(H,27,31);1H3;2*1H4/i;;1D;;.

What are the key properties of deuterio(fluoro)methane;N-[4-fluoro-3-(6-pyridin-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-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide;methane?

deuterio(fluoro)methane;N-[4-fluoro-3-(6-pyridin-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-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide;methane has a molecular weight of 939.98 g/mol, XLogP of 9.58, 8 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for deuterio(fluoro)methane;N-[4-fluoro-3-(6-pyridin-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-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide;methane is sourced from PubChem (CID 157140900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).