N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine

C26H26F3N7O — CID 134511800

About N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine

N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine (PubChem CID 134511800) has the molecular formula C26H26F3N7O and a molecular weight of 509.54 g/mol. Its IUPAC name is N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine.

Molecular Properties

• Compound Name: N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine
• PubChem CID: 134511800
• Molecular Formula: C26H26F3N7O
• Molecular Weight: 509.54 g/mol
• Exact Mass: 509.22
• IUPAC Name: N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine
• SMILES: C=NCc1cnn2cc(OCC(F)(F)F)cc(-c3ccc(N4CCN(Cc5ccccn5)CC4)nc3)c12
• InChI: InChI=1S/C26H26F3N7O/c1-30-13-20-15-33-36-17-22(37-18-26(27,28)29)12-23(25(20)36)19-5-6-24(32-14-19)35-10-8-34(9-11-35)16-21-4-2-3-7-31-21/h2-7,12,14-15,17H,1,8-11,13,16,18H2
• InChIKey: MWARLQFDBOKMGF-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 71.15 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.54
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine?

The IUPAC name of N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine (CID 134511800) is N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine.

What is the SMILES notation for N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine?

The canonical SMILES for N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine is C=NCc1cnn2cc(OCC(F)(F)F)cc(-c3ccc(N4CCN(Cc5ccccn5)CC4)nc3)c12.

What is the InChIKey of N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine?

The InChIKey is MWARLQFDBOKMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O/c1-30-13-20-15-33-36-17-22(37-18-26(27,28)29)12-23(25(20)36)19-5-6-24(32-14-19)35-10-8-34(9-11-35)16-21-4-2-3-7-31-21/h2-7,12,14-15,17H,1,8-11,13,16,18H2.

What are the key properties of N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine?

N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine has a molecular weight of 509.54 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine is sourced from PubChem (CID 134511800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).