1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea

C120H105F3N36O7 — CID 158773519

IUPAC1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCCc1ccc(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)cc2)cc1.COc1cccc(NC(=O)Nc2ccc(-c3cccc4nnc(N)n34)cc2)c1.Cc1ccc(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)cc2)cc1.Cc1cccc(NC(=O)Nc2ccc(-c3cccc4nnc(N)n34)cc2)c1.Nc1nnc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)n12.Nc1nnn2cccc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12
InChIInChI=1S/C21H20N6O.C20H15F3N6O.C20H18N6O2.2C20H18N6O.C19H16N6O/c1-2-14-5-9-16(10-6-14)23-21(28)24-17-11-7-15(8-12-17)18-4-3-13-27-19(18)20(22)25-26-27;21-20(22,23)15-5-1-2-6-16(15)26-19(30)25-13-9-7-12(8-10-13)14-4-3-11-29-17(14)18(24)27-28-29;1-28-16-5-2-4-15(12-16)23-20(27)22-14-10-8-13(9-11-14)17-6-3-7-18-24-25-19(21)26(17)18;1-13-4-2-5-16(12-13)23-20(27)22-15-10-8-14(9-11-15)17-6-3-7-18-24-25-19(21)26(17)18;1-13-4-8-15(9-5-13)22-20(27)23-16-10-6-14(7-11-16)17-3-2-12-26-18(17)19(21)24-25-26;20-18-24-23-17-8-4-7-16(25(17)18)13-9-11-15(12-10-13)22-19(26)21-14-5-2-1-3-6-14/h3-13H,2,22H2,1H3,(H2,23,24,28);1-11H,24H2,(H2,25,26,30);2-12H,1H3,(H2,21,25)(H2,22,23,27);2-12H,1H3,(H2,21,25)(H2,22,23,27);2-12H,21H2,1H3,(H2,22,23,27);1-12H,(H2,20,24)(H2,21,22,26)
InChIKeyIQEGVMKCPSHNGW-UHFFFAOYSA-N
MW2220.40 g/mol
LogP23.94
Rot. Bonds20

About 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 158773519) has the molecular formula C120H105F3N36O7 and a molecular weight of 2220.40 g/mol. Its IUPAC name is 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID158773519
Molecular FormulaC120H105F3N36O7
Molecular Weight2220.40 g/mol
Exact Mass2218.89
IUPAC Name1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCCc1ccc(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)cc2)cc1.COc1cccc(NC(=O)Nc2ccc(-c3cccc4nnc(N)n34)cc2)c1.Cc1ccc(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)cc2)cc1.Cc1cccc(NC(=O)Nc2ccc(-c3cccc4nnc(N)n34)cc2)c1.Nc1nnc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)n12.Nc1nnn2cccc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12
InChIInChI=1S/C21H20N6O.C20H15F3N6O.C20H18N6O2.2C20H18N6O.C19H16N6O/c1-2-14-5-9-16(10-6-14)23-21(28)24-17-11-7-15(8-12-17)18-4-3-13-27-19(18)20(22)25-26-27;21-20(22,23)15-5-1-2-6-16(15)26-19(30)25-13-9-7-12(8-10-13)14-4-3-11-29-17(14)18(24)27-28-29;1-28-16-5-2-4-15(12-16)23-20(27)22-14-10-8-13(9-11-14)17-6-3-7-18-24-25-19(21)26(17)18;1-13-4-2-5-16(12-13)23-20(27)22-15-10-8-14(9-11-15)17-6-3-7-18-24-25-19(21)26(17)18;1-13-4-8-15(9-5-13)22-20(27)23-16-10-6-14(7-11-16)17-3-2-12-26-18(17)19(21)24-25-26;20-18-24-23-17-8-4-7-16(25(17)18)13-9-11-15(12-10-13)22-19(26)21-14-5-2-1-3-6-14/h3-13H,2,22H2,1H3,(H2,23,24,28);1-11H,24H2,(H2,25,26,30);2-12H,1H3,(H2,21,25)(H2,22,23,27);2-12H,1H3,(H2,21,25)(H2,22,23,27);2-12H,21H2,1H3,(H2,22,23,27);1-12H,(H2,20,24)(H2,21,22,26)
InChIKeyIQEGVMKCPSHNGW-UHFFFAOYSA-N
XLogP23.94
TPSA593.27 Ų
H-Bond Donors18
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms166
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002220.40
LogP ≤ 523.94
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1031

Analyze 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 158773519) is 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea is CCc1ccc(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)cc2)cc1.COc1cccc(NC(=O)Nc2ccc(-c3cccc4nnc(N)n34)cc2)c1.Cc1ccc(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)cc2)cc1.Cc1cccc(NC(=O)Nc2ccc(-c3cccc4nnc(N)n34)cc2)c1.Nc1nnc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)n12.Nc1nnn2cccc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12.
What is the InChIKey of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is IQEGVMKCPSHNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O.C20H15F3N6O.C20H18N6O2.2C20H18N6O.C19H16N6O/c1-2-14-5-9-16(10-6-14)23-21(28)24-17-11-7-15(8-12-17)18-4-3-13-27-19(18)20(22)25-26-27;21-20(22,23)15-5-1-2-6-16(15)26-19(30)25-13-9-7-12(8-10-13)14-4-3-11-29-17(14)18(24)27-28-29;1-28-16-5-2-4-15(12-16)23-20(27)22-14-10-8-13(9-11-14)17-6-3-7-18-24-25-19(21)26(17)18;1-13-4-2-5-16(12-13)23-20(27)22-15-10-8-14(9-11-15)17-6-3-7-18-24-25-19(21)26(17)18;1-13-4-8-15(9-5-13)22-20(27)23-16-10-6-14(7-11-16)17-3-2-12-26-18(17)19(21)24-25-26;20-18-24-23-17-8-4-7-16(25(17)18)13-9-11-15(12-10-13)22-19(26)21-14-5-2-1-3-6-14/h3-13H,2,22H2,1H3,(H2,23,24,28);1-11H,24H2,(H2,25,26,30);2-12H,1H3,(H2,21,25)(H2,22,23,27);2-12H,1H3,(H2,21,25)(H2,22,23,27);2-12H,21H2,1H3,(H2,22,23,27);1-12H,(H2,20,24)(H2,21,22,26).
What are the key properties of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 2220.40 g/mol, XLogP of 23.94, 20 rotatable bonds, 18 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-phenylurea;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 158773519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).