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

C59H58F3N23O3 — CID 144758303

IUPAC1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane
SMILESCC.CC.Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)nc2)c1.Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)nn2)c1.Cc1ccc(F)c(NC(=O)Nc2ncc(-c3cccn4nnc(N)c34)cn2)c1
InChIInChI=1S/C19H16FN7O.2C18H15FN8O.2C2H6/c1-11-4-6-14(20)16(9-11)24-19(28)23-12-5-7-15(22-10-12)13-3-2-8-27-17(13)18(21)25-26-27;1-10-4-5-12(19)14(9-10)21-18(28)22-15-7-6-13(23-24-15)11-3-2-8-27-16(11)17(20)25-26-27;1-10-4-5-13(19)14(7-10)23-18(28)24-17-21-8-11(9-22-17)12-3-2-6-27-15(12)16(20)25-26-27;2*1-2/h2-10H,21H2,1H3,(H2,23,24,28);2-9H,20H2,1H3,(H2,21,22,24,28);2-9H,20H2,1H3,(H2,21,22,23,24,28);2*1-2H3
InChIKeyVHTFZJKHXGCLOU-UHFFFAOYSA-N
MW1194.26 g/mol
LogP11.24
Rot. Bonds9

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

1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane (PubChem CID 144758303) has the molecular formula C59H58F3N23O3 and a molecular weight of 1194.26 g/mol. Its IUPAC name is 1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane.

Molecular Properties

Compound Name1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane
PubChem CID144758303
Molecular FormulaC59H58F3N23O3
Molecular Weight1194.26 g/mol
Exact Mass1193.50
IUPAC Name1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane
SMILESCC.CC.Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)nc2)c1.Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)nn2)c1.Cc1ccc(F)c(NC(=O)Nc2ncc(-c3cccn4nnc(N)c34)cn2)c1
InChIInChI=1S/C19H16FN7O.2C18H15FN8O.2C2H6/c1-11-4-6-14(20)16(9-11)24-19(28)23-12-5-7-15(22-10-12)13-3-2-8-27-17(13)18(21)25-26-27;1-10-4-5-12(19)14(9-10)21-18(28)22-15-7-6-13(23-24-15)11-3-2-8-27-16(11)17(20)25-26-27;1-10-4-5-13(19)14(7-10)23-18(28)24-17-21-8-11(9-22-17)12-3-2-6-27-15(12)16(20)25-26-27;2*1-2/h2-10H,21H2,1H3,(H2,23,24,28);2-9H,20H2,1H3,(H2,21,22,24,28);2-9H,20H2,1H3,(H2,21,22,23,24,28);2*1-2H3
InChIKeyVHTFZJKHXGCLOU-UHFFFAOYSA-N
XLogP11.24
TPSA356.47 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001194.26
LogP ≤ 511.24
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane?
The IUPAC name of 1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane (CID 144758303) is 1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane.
What is the SMILES notation for 1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane?
The canonical SMILES for 1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane is CC.CC.Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)nc2)c1.Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)nn2)c1.Cc1ccc(F)c(NC(=O)Nc2ncc(-c3cccn4nnc(N)c34)cn2)c1.
What is the InChIKey of 1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane?
The InChIKey is VHTFZJKHXGCLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O.2C18H15FN8O.2C2H6/c1-11-4-6-14(20)16(9-11)24-19(28)23-12-5-7-15(22-10-12)13-3-2-8-27-17(13)18(21)25-26-27;1-10-4-5-12(19)14(9-10)21-18(28)22-15-7-6-13(23-24-15)11-3-2-8-27-16(11)17(20)25-26-27;1-10-4-5-13(19)14(7-10)23-18(28)24-17-21-8-11(9-22-17)12-3-2-6-27-15(12)16(20)25-26-27;2*1-2/h2-10H,21H2,1H3,(H2,23,24,28);2-9H,20H2,1H3,(H2,21,22,24,28);2-9H,20H2,1H3,(H2,21,22,23,24,28);2*1-2H3.
What are the key properties of 1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane?
1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane has a molecular weight of 1194.26 g/mol, XLogP of 11.24, 9 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)urea;ethane is sourced from PubChem (CID 144758303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).