N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C91H92F3N17O8 — CID 159291730

About N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 159291730) has the molecular formula C91H92F3N17O8 and a molecular weight of 1608.84 g/mol. Its IUPAC name is N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 159291730
• Molecular Formula: C91H92F3N17O8
• Molecular Weight: 1608.84 g/mol
• Exact Mass: 1607.73
• IUPAC Name: N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: CC(Oc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1)C(=O)Nc1ccccc1.FC(F)(F)c1ccccc1COc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.NC(=O)COc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
• InChI: InChI=1S/C33H34N6O3.C32H30F3N5O2.C26H28N6O3/c1-24(32(40)34-26-10-3-2-4-11-26)42-29-12-7-9-25(23-29)30-13-8-14-31-36-33(37-39(30)31)35-27-15-17-28(18-16-27)41-22-21-38-19-5-6-20-38;33-32(34,35)28-10-2-1-7-24(28)22-42-27-9-5-8-23(21-27)29-11-6-12-30-37-31(38-40(29)30)36-25-13-15-26(16-14-25)41-20-19-39-17-3-4-18-39;27-24(33)18-35-22-6-3-5-19(17-22)23-7-4-8-25-29-26(30-32(23)25)28-20-9-11-21(12-10-20)34-16-15-31-13-1-2-14-31/h2-4,7-18,23-24H,5-6,19-22H2,1H3,(H,34,40)(H,35,37);1-2,5-16,21H,3-4,17-20,22H2,(H,36,38);3-12,17H,1-2,13-16,18H2,(H2,27,33)(H,28,30)
• InChIKey: LAFFDQYFLICPDG-UHFFFAOYSA-N
• XLogP: 16.71
• TPSA: 263.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1608.84
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 159291730) is N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC(Oc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1)C(=O)Nc1ccccc1.FC(F)(F)c1ccccc1COc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.NC(=O)COc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.

What is the InChIKey of N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is LAFFDQYFLICPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O3.C32H30F3N5O2.C26H28N6O3/c1-24(32(40)34-26-10-3-2-4-11-26)42-29-12-7-9-25(23-29)30-13-8-14-31-36-33(37-39(30)31)35-27-15-17-28(18-16-27)41-22-21-38-19-5-6-20-38;33-32(34,35)28-10-2-1-7-24(28)22-42-27-9-5-8-23(21-27)29-11-6-12-30-37-31(38-40(29)30)36-25-13-15-26(16-14-25)41-20-19-39-17-3-4-18-39;27-24(33)18-35-22-6-3-5-19(17-22)23-7-4-8-25-29-26(30-32(23)25)28-20-9-11-21(12-10-20)34-16-15-31-13-1-2-14-31/h2-4,7-18,23-24H,5-6,19-22H2,1H3,(H,34,40)(H,35,37);1-2,5-16,21H,3-4,17-20,22H2,(H,36,38);3-12,17H,1-2,13-16,18H2,(H2,27,33)(H,28,30).

What are the key properties of N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 1608.84 g/mol, XLogP of 16.71, 31 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 159291730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).