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

C21H14FN7O2 — CID 118162693

IUPACN-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5ccccn5)cn4n3)c2)o1
InChIInChI=1S/C21H14FN7O2/c1-12-24-10-18(31-12)20(30)26-14-5-6-16(22)15(8-14)19-27-21-25-9-13(11-29(21)28-19)17-4-2-3-7-23-17/h2-11H,1H3,(H,26,30)
InChIKeyMFMNMZJCSLLRQX-UHFFFAOYSA-N
MW415.39 g/mol
LogP3.54
Rot. Bonds4

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

N-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide (PubChem CID 118162693) has the molecular formula C21H14FN7O2 and a molecular weight of 415.39 g/mol. Its IUPAC name is N-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide
PubChem CID118162693
Molecular FormulaC21H14FN7O2
Molecular Weight415.39 g/mol
Exact Mass415.12
IUPAC NameN-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5ccccn5)cn4n3)c2)o1
InChIInChI=1S/C21H14FN7O2/c1-12-24-10-18(31-12)20(30)26-14-5-6-16(22)15(8-14)19-27-21-25-9-13(11-29(21)28-19)17-4-2-3-7-23-17/h2-11H,1H3,(H,26,30)
InChIKeyMFMNMZJCSLLRQX-UHFFFAOYSA-N
XLogP3.54
TPSA111.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide (CID 118162693) is N-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5ccccn5)cn4n3)c2)o1.
What is the InChIKey of N-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is MFMNMZJCSLLRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN7O2/c1-12-24-10-18(31-12)20(30)26-14-5-6-16(22)15(8-14)19-27-21-25-9-13(11-29(21)28-19)17-4-2-3-7-23-17/h2-11H,1H3,(H,26,30).
What are the key properties of N-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide?
N-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 415.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118162693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).