N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane

C24H28F3N7OSe — CID 178125859

About N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane

N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane (PubChem CID 178125859) has the molecular formula C24H28F3N7OSe and a molecular weight of 566.49 g/mol. Its IUPAC name is N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

• Compound Name: N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane
• PubChem CID: 178125859
• Molecular Formula: C24H28F3N7OSe
• Molecular Weight: 566.49 g/mol
• Exact Mass: 567.15
• IUPAC Name: N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane
• SMILES: CC1C2CCN(C)CC12.Cn1cc(C(=O)NCC#Cc2nn3c(N)cccc3c2[Se]C(F)(F)F)cn1
• InChI: InChI=1S/C16H13F3N6OSe.C8H15N/c1-24-9-10(8-22-24)15(26)21-7-3-4-11-14(27-16(17,18)19)12-5-2-6-13(20)25(12)23-11;1-6-7-3-4-9(2)5-8(6)7/h2,5-6,8-9H,7,20H2,1H3,(H,21,26);6-8H,3-5H2,1-2H3
• InChIKey: FLTCROZLQVOROH-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 93.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.49
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane?

The IUPAC name of N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane (CID 178125859) is N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane.

What is the SMILES notation for N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane?

The canonical SMILES for N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane is CC1C2CCN(C)CC12.Cn1cc(C(=O)NCC#Cc2nn3c(N)cccc3c2[Se]C(F)(F)F)cn1.

What is the InChIKey of N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane?

The InChIKey is FLTCROZLQVOROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6OSe.C8H15N/c1-24-9-10(8-22-24)15(26)21-7-3-4-11-14(27-16(17,18)19)12-5-2-6-13(20)25(12)23-11;1-6-7-3-4-9(2)5-8(6)7/h2,5-6,8-9H,7,20H2,1H3,(H,21,26);6-8H,3-5H2,1-2H3.

What are the key properties of N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane?

N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane has a molecular weight of 566.49 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 178125859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).