5-[3-(furan-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1H-pyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(3-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C83H81N17O4S — CID 158478111

About 5-[3-(furan-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1H-pyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(3-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[3-(furan-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1H-pyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(3-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 158478111) has the molecular formula C83H81N17O4S and a molecular weight of 1412.74 g/mol. Its IUPAC name is 5-[3-(furan-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1H-pyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(3-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[3-(furan-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1H-pyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(3-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 158478111
• Molecular Formula: C83H81N17O4S
• Molecular Weight: 1412.74 g/mol
• Exact Mass: 1411.64
• IUPAC Name: 5-[3-(furan-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1H-pyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(3-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: c1cc(-c2ccoc2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.c1cc(-c2ccsc2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.c1cc(-c2cn[nH]c2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
• InChI: InChI=1S/C28H27N5O2.C28H27N5OS.C27H27N7O/c1-2-15-32(14-1)16-18-35-25-11-9-24(10-12-25)29-28-30-27-8-4-7-26(33(27)31-28)22-6-3-5-21(19-22)23-13-17-34-20-23;1-2-15-32(14-1)16-17-34-25-11-9-24(10-12-25)29-28-30-27-8-4-7-26(33(27)31-28)22-6-3-5-21(19-22)23-13-18-35-20-23;1-2-14-33(13-1)15-16-35-24-11-9-23(10-12-24)30-27-31-26-8-4-7-25(34(26)32-27)21-6-3-5-20(17-21)22-18-28-29-19-22/h3-13,17,19-20H,1-2,14-16,18H2,(H,29,31);3-13,18-20H,1-2,14-17H2,(H,29,31);3-12,17-19H,1-2,13-16H2,(H,28,29)(H,30,32)
• InChIKey: HHENDNSSOKLTCE-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 205.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1412.74
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-[3-(furan-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1H-pyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(3-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 5-[3-(furan-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1H-pyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(3-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 158478111) is 5-[3-(furan-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1H-pyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(3-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 5-[3-(furan-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1H-pyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(3-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 5-[3-(furan-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1H-pyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(3-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is c1cc(-c2ccoc2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.c1cc(-c2ccsc2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.c1cc(-c2cn[nH]c2)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.

What is the InChIKey of 5-[3-(furan-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1H-pyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(3-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is HHENDNSSOKLTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2.C28H27N5OS.C27H27N7O/c1-2-15-32(14-1)16-18-35-25-11-9-24(10-12-25)29-28-30-27-8-4-7-26(33(27)31-28)22-6-3-5-21(19-22)23-13-17-34-20-23;1-2-15-32(14-1)16-17-34-25-11-9-24(10-12-25)29-28-30-27-8-4-7-26(33(27)31-28)22-6-3-5-21(19-22)23-13-18-35-20-23;1-2-14-33(13-1)15-16-35-24-11-9-23(10-12-24)30-27-31-26-8-4-7-25(34(26)32-27)21-6-3-5-20(17-21)22-18-28-29-19-22/h3-13,17,19-20H,1-2,14-16,18H2,(H,29,31);3-13,18-20H,1-2,14-17H2,(H,29,31);3-12,17-19H,1-2,13-16H2,(H,28,29)(H,30,32).

What are the key properties of 5-[3-(furan-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1H-pyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(3-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

5-[3-(furan-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1H-pyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(3-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 1412.74 g/mol, XLogP of 17.22, 24 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(furan-3-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1H-pyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(3-thiophen-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 158478111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).