1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane

C59H62F3N25O3 — CID 144758342

IUPAC1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane
SMILESCC.CC.CC.Cc1ccc(F)c(NC(=O)Nc2cnc(-c3cccn4nnc(N)c34)cn2)c1.Cc1ccc(F)c(NC(=O)Nc2cnc(-c3cccn4nnc(N)c34)nc2)c1.Cc1ccc(F)c(NC(=O)Nc2cnc(-c3cccn4nnc(N)c34)nn2)c1
InChIInChI=1S/2C18H15FN8O.C17H14FN9O.3C2H6/c1-10-4-5-13(19)14(7-10)24-18(28)23-11-8-21-17(22-9-11)12-3-2-6-27-15(12)16(20)25-26-27;1-10-4-5-12(19)13(7-10)23-18(28)24-15-9-21-14(8-22-15)11-3-2-6-27-16(11)17(20)25-26-27;1-9-4-5-11(18)12(7-9)21-17(28)22-13-8-20-16(25-23-13)10-3-2-6-27-14(10)15(19)24-26-27;3*1-2/h2-9H,20H2,1H3,(H2,23,24,28);2-9H,20H2,1H3,(H2,22,23,24,28);2-8H,19H2,1H3,(H2,21,22,23,28);3*1-2H3
InChIKeyWMTOGZKYMYBSJX-UHFFFAOYSA-N
MW1226.31 g/mol
LogP11.05
Rot. Bonds9

About 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane

1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane (PubChem CID 144758342) has the molecular formula C59H62F3N25O3 and a molecular weight of 1226.31 g/mol. Its IUPAC name is 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane.

Molecular Properties

Compound Name1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane
PubChem CID144758342
Molecular FormulaC59H62F3N25O3
Molecular Weight1226.31 g/mol
Exact Mass1225.54
IUPAC Name1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane
SMILESCC.CC.CC.Cc1ccc(F)c(NC(=O)Nc2cnc(-c3cccn4nnc(N)c34)cn2)c1.Cc1ccc(F)c(NC(=O)Nc2cnc(-c3cccn4nnc(N)c34)nc2)c1.Cc1ccc(F)c(NC(=O)Nc2cnc(-c3cccn4nnc(N)c34)nn2)c1
InChIInChI=1S/2C18H15FN8O.C17H14FN9O.3C2H6/c1-10-4-5-13(19)14(7-10)24-18(28)23-11-8-21-17(22-9-11)12-3-2-6-27-15(12)16(20)25-26-27;1-10-4-5-12(19)13(7-10)23-18(28)24-15-9-21-14(8-22-15)11-3-2-6-27-16(11)17(20)25-26-27;1-9-4-5-11(18)12(7-9)21-17(28)22-13-8-20-16(25-23-13)10-3-2-6-27-14(10)15(19)24-26-27;3*1-2/h2-9H,20H2,1H3,(H2,23,24,28);2-9H,20H2,1H3,(H2,22,23,24,28);2-8H,19H2,1H3,(H2,21,22,23,28);3*1-2H3
InChIKeyWMTOGZKYMYBSJX-UHFFFAOYSA-N
XLogP11.05
TPSA382.25 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001226.31
LogP ≤ 511.05
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane?
The IUPAC name of 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane (CID 144758342) is 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane.
What is the SMILES notation for 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane?
The canonical SMILES for 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane is CC.CC.CC.Cc1ccc(F)c(NC(=O)Nc2cnc(-c3cccn4nnc(N)c34)cn2)c1.Cc1ccc(F)c(NC(=O)Nc2cnc(-c3cccn4nnc(N)c34)nc2)c1.Cc1ccc(F)c(NC(=O)Nc2cnc(-c3cccn4nnc(N)c34)nn2)c1.
What is the InChIKey of 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane?
The InChIKey is WMTOGZKYMYBSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15FN8O.C17H14FN9O.3C2H6/c1-10-4-5-13(19)14(7-10)24-18(28)23-11-8-21-17(22-9-11)12-3-2-6-27-15(12)16(20)25-26-27;1-10-4-5-12(19)13(7-10)23-18(28)24-15-9-21-14(8-22-15)11-3-2-6-27-16(11)17(20)25-26-27;1-9-4-5-11(18)12(7-9)21-17(28)22-13-8-20-16(25-23-13)10-3-2-6-27-14(10)15(19)24-26-27;3*1-2/h2-9H,20H2,1H3,(H2,23,24,28);2-9H,20H2,1H3,(H2,22,23,24,28);2-8H,19H2,1H3,(H2,21,22,23,28);3*1-2H3.
What are the key properties of 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane?
1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane has a molecular weight of 1226.31 g/mol, XLogP of 11.05, 9 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane is sourced from PubChem (CID 144758342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).