N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide

C25H26F3N7O2Se — CID 178125631

About N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide

N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide (PubChem CID 178125631) has the molecular formula C25H26F3N7O2Se and a molecular weight of 592.48 g/mol. Its IUPAC name is N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide
• PubChem CID: 178125631
• Molecular Formula: C25H26F3N7O2Se
• Molecular Weight: 592.48 g/mol
• Exact Mass: 593.13
• IUPAC Name: N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide
• SMILES: CN1CCC2(Nc3cccc4c([Se]C(F)(F)F)c(C#CCNC(=O)c5cnn(C6COC6)c5)nn34)CC2C1
• InChI: InChI=1S/C25H26F3N7O2Se/c1-33-9-7-24(10-17(24)13-33)31-21-6-2-5-20-22(38-25(26,27)28)19(32-35(20)21)4-3-8-29-23(36)16-11-30-34(12-16)18-14-37-15-18/h2,5-6,11-12,17-18,31H,7-10,13-15H2,1H3,(H,29,36)
• InChIKey: CKJSGUBJQMHYKB-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 88.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.48
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide?

The IUPAC name of N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide (CID 178125631) is N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide.

What is the SMILES notation for N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide?

The canonical SMILES for N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide is CN1CCC2(Nc3cccc4c([Se]C(F)(F)F)c(C#CCNC(=O)c5cnn(C6COC6)c5)nn34)CC2C1.

What is the InChIKey of N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide?

The InChIKey is CKJSGUBJQMHYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O2Se/c1-33-9-7-24(10-17(24)13-33)31-21-6-2-5-20-22(38-25(26,27)28)19(32-35(20)21)4-3-8-29-23(36)16-11-30-34(12-16)18-14-37-15-18/h2,5-6,11-12,17-18,31H,7-10,13-15H2,1H3,(H,29,36).

What are the key properties of N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide?

N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide has a molecular weight of 592.48 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 178125631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).