N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide

C24H19FN6O2 — CID 170171049

IUPACN-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide
SMILESCc1ccc(-c2ccc3nc(N)nn3c2)cc1NC(=O)N1OC=CC=C1c1ccc(F)cc1
InChIInChI=1S/C24H19FN6O2/c1-15-4-5-17(18-8-11-22-28-23(26)29-30(22)14-18)13-20(15)27-24(32)31-21(3-2-12-33-31)16-6-9-19(25)10-7-16/h2-14H,1H3,(H2,26,29)(H,27,32)
InChIKeyHUJCQMYNJRHOPJ-UHFFFAOYSA-N
MW442.45 g/mol
LogP4.76
Rot. Bonds3

About N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide

N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide (PubChem CID 170171049) has the molecular formula C24H19FN6O2 and a molecular weight of 442.45 g/mol. Its IUPAC name is N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide
PubChem CID170171049
Molecular FormulaC24H19FN6O2
Molecular Weight442.45 g/mol
Exact Mass442.16
IUPAC NameN-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide
SMILESCc1ccc(-c2ccc3nc(N)nn3c2)cc1NC(=O)N1OC=CC=C1c1ccc(F)cc1
InChIInChI=1S/C24H19FN6O2/c1-15-4-5-17(18-8-11-22-28-23(26)29-30(22)14-18)13-20(15)27-24(32)31-21(3-2-12-33-31)16-6-9-19(25)10-7-16/h2-14H,1H3,(H2,26,29)(H,27,32)
InChIKeyHUJCQMYNJRHOPJ-UHFFFAOYSA-N
XLogP4.76
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide?
The IUPAC name of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide (CID 170171049) is N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide.
What is the SMILES notation for N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide?
The canonical SMILES for N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide is Cc1ccc(-c2ccc3nc(N)nn3c2)cc1NC(=O)N1OC=CC=C1c1ccc(F)cc1.
What is the InChIKey of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide?
The InChIKey is HUJCQMYNJRHOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O2/c1-15-4-5-17(18-8-11-22-28-23(26)29-30(22)14-18)13-20(15)27-24(32)31-21(3-2-12-33-31)16-6-9-19(25)10-7-16/h2-14H,1H3,(H2,26,29)(H,27,32).
What are the key properties of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide?
N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide is sourced from PubChem (CID 170171049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).