5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C35H35N7O2 — CID 59589867

About 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59589867) has the molecular formula C35H35N7O2 and a molecular weight of 585.71 g/mol. Its IUPAC name is 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 59589867
• Molecular Formula: C35H35N7O2
• Molecular Weight: 585.71 g/mol
• Exact Mass: 585.29
• IUPAC Name: 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: Cn1nc(COc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)cc1-c1ccccc1
• InChI: InChI=1S/C35H35N7O2/c1-40-33(26-9-3-2-4-10-26)24-29(38-40)25-44-31-12-7-11-27(23-31)32-13-8-14-34-37-35(39-42(32)34)36-28-15-17-30(18-16-28)43-22-21-41-19-5-6-20-41/h2-4,7-18,23-24H,5-6,19-22,25H2,1H3,(H,36,39)
• InChIKey: HYAXFJUYTLDCLP-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 81.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.71
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59589867) is 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cn1nc(COc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)cc1-c1ccccc1.

What is the InChIKey of 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is HYAXFJUYTLDCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O2/c1-40-33(26-9-3-2-4-10-26)24-29(38-40)25-44-31-12-7-11-27(23-31)32-13-8-14-34-37-35(39-42(32)34)36-28-15-17-30(18-16-28)43-22-21-41-19-5-6-20-41/h2-4,7-18,23-24H,5-6,19-22,25H2,1H3,(H,36,39).

What are the key properties of 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 585.71 g/mol, XLogP of 6.59, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59589867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).