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

C24H23F5N6OSSe — CID 178125921

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

N-[3-[7-[[3-(2,2-difluoroethyl)-3-azabicyclo[4.1.0]heptan-6-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 178125921) has the molecular formula C24H23F5N6OSSe and a molecular weight of 617.51 g/mol. Its IUPAC name is N-[3-[7-[[3-(2,2-difluoroethyl)-3-azabicyclo[4.1.0]heptan-6-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[7-[[3-(2,2-difluoroethyl)-3-azabicyclo[4.1.0]heptan-6-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-2-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 178125921
• Molecular Formula: C24H23F5N6OSSe
• Molecular Weight: 617.51 g/mol
• Exact Mass: 618.07
• IUPAC Name: N-[3-[7-[[3-(2,2-difluoroethyl)-3-azabicyclo[4.1.0]heptan-6-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-2-methyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1ncc(C(=O)NCC#Cc2nn3c(NC45CCN(CC(F)F)CC4C5)cccc3c2[Se]C(F)(F)F)s1
• InChI: InChI=1S/C24H23F5N6OSSe/c1-14-31-11-18(37-14)22(36)30-8-3-4-16-21(38-24(27,28)29)17-5-2-6-20(35(17)33-16)32-23-7-9-34(13-19(25)26)12-15(23)10-23/h2,5-6,11,15,19,32H,7-10,12-13H2,1H3,(H,30,36)
• InChIKey: LQXRHCMKXMSLCV-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 74.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.51
LogP ≤ 5	2.87
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-[[3-(2,2-difluoroethyl)-3-azabicyclo[4.1.0]heptan-6-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-2-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[3-[7-[[3-(2,2-difluoroethyl)-3-azabicyclo[4.1.0]heptan-6-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 178125921) is N-[3-[7-[[3-(2,2-difluoroethyl)-3-azabicyclo[4.1.0]heptan-6-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-2-methyl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N-[3-[7-[[3-(2,2-difluoroethyl)-3-azabicyclo[4.1.0]heptan-6-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NCC#Cc2nn3c(NC45CCN(CC(F)F)CC4C5)cccc3c2[Se]C(F)(F)F)s1.

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

The InChIKey is LQXRHCMKXMSLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F5N6OSSe/c1-14-31-11-18(37-14)22(36)30-8-3-4-16-21(38-24(27,28)29)17-5-2-6-20(35(17)33-16)32-23-7-9-34(13-19(25)26)12-15(23)10-23/h2,5-6,11,15,19,32H,7-10,12-13H2,1H3,(H,30,36).

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

N-[3-[7-[[3-(2,2-difluoroethyl)-3-azabicyclo[4.1.0]heptan-6-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 617.51 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[7-[[3-(2,2-difluoroethyl)-3-azabicyclo[4.1.0]heptan-6-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 178125921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).