2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate

C103H100FN17O4 — CID 158217803

About 2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate

2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate (PubChem CID 158217803) has the molecular formula C103H100FN17O4 and a molecular weight of 1659.05 g/mol. Its IUPAC name is 2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate.

Molecular Properties

• Compound Name: 2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate
• PubChem CID: 158217803
• Molecular Formula: C103H100FN17O4
• Molecular Weight: 1659.05 g/mol
• Exact Mass: 1657.81
• IUPAC Name: 2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate
• SMILES: C=C(Cc1nc2cccc(-c3ccc(-c4ccccc4)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(C(=O)OC)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(N(C)C)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(NC(C)=O)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(OC)c(F)c3)n2n1)C1CC1
• InChI: InChI=1S/C24H21N3.C20H20N4O.C20H22N4.C20H19N3O2.C19H18FN3O/c1-17(18-10-11-18)16-23-25-24-9-5-8-22(27(24)26-23)21-14-12-20(13-15-21)19-6-3-2-4-7-19;1-13(15-6-7-15)12-19-22-20-5-3-4-18(24(20)23-19)16-8-10-17(11-9-16)21-14(2)25;1-14(15-7-8-15)13-19-21-20-6-4-5-18(24(20)22-19)16-9-11-17(12-10-16)23(2)3;1-13(14-6-7-14)12-18-21-19-5-3-4-17(23(19)22-18)15-8-10-16(11-9-15)20(24)25-2;1-12(13-6-7-13)10-18-21-19-5-3-4-16(23(19)22-18)14-8-9-17(24-2)15(20)11-14/h2-9,12-15,18H,1,10-11,16H2;3-5,8-11,15H,1,6-7,12H2,2H3,(H,21,25);4-6,9-12,15H,1,7-8,13H2,2-3H3;3-5,8-11,14H,1,6-7,12H2,2H3;3-5,8-9,11,13H,1,6-7,10H2,2H3
• InChIKey: GCWKJISSMOWNQD-UHFFFAOYSA-N
• XLogP: 21.15
• TPSA: 218.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1659.05
LogP ≤ 5	21.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate?

The IUPAC name of 2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate (CID 158217803) is 2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate.

What is the SMILES notation for 2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate?

The canonical SMILES for 2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate is C=C(Cc1nc2cccc(-c3ccc(-c4ccccc4)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(C(=O)OC)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(N(C)C)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(NC(C)=O)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(OC)c(F)c3)n2n1)C1CC1.

What is the InChIKey of 2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate?

The InChIKey is GCWKJISSMOWNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3.C20H20N4O.C20H22N4.C20H19N3O2.C19H18FN3O/c1-17(18-10-11-18)16-23-25-24-9-5-8-22(27(24)26-23)21-14-12-20(13-15-21)19-6-3-2-4-7-19;1-13(15-6-7-15)12-19-22-20-5-3-4-18(24(20)23-19)16-8-10-17(11-9-16)21-14(2)25;1-14(15-7-8-15)13-19-21-20-6-4-5-18(24(20)22-19)16-9-11-17(12-10-16)23(2)3;1-13(14-6-7-14)12-18-21-19-5-3-4-17(23(19)22-18)15-8-10-16(11-9-15)20(24)25-2;1-12(13-6-7-13)10-18-21-19-5-3-4-16(23(19)22-18)14-8-9-17(24-2)15(20)11-14/h2-9,12-15,18H,1,10-11,16H2;3-5,8-11,15H,1,6-7,12H2,2H3,(H,21,25);4-6,9-12,15H,1,7-8,13H2,2-3H3;3-5,8-11,14H,1,6-7,12H2,2H3;3-5,8-9,11,13H,1,6-7,10H2,2H3.

What are the key properties of 2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate?

2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate has a molecular weight of 1659.05 g/mol, XLogP of 21.15, 25 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate is sourced from PubChem (CID 158217803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).