2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide

C24H25F3N6OSSe — CID 178125734

About 2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide

2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide (PubChem CID 178125734) has the molecular formula C24H25F3N6OSSe and a molecular weight of 581.53 g/mol. Its IUPAC name is 2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 178125734
• Molecular Formula: C24H25F3N6OSSe
• Molecular Weight: 581.53 g/mol
• Exact Mass: 582.09
• IUPAC Name: 2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1ncc(C(=O)NCC#Cc2nn3c(N[C@@H]4CC[C@@H]5CC[C@H]4N5C)cccc3c2[Se]C(F)(F)F)s1
• InChI: InChI=1S/C24H25F3N6OSSe/c1-14-29-13-20(35-14)23(34)28-12-4-5-17-22(36-24(25,26)27)19-6-3-7-21(33(19)31-17)30-16-10-8-15-9-11-18(16)32(15)2/h3,6-7,13,15-16,18,30H,8-12H2,1-2H3,(H,28,34)/t15-,16-,18-/m1/s1
• InChIKey: WJSFTMFXJMQYRF-JFIYKMOQSA-N
• XLogP: 2.77
• TPSA: 74.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.53
LogP ≤ 5	2.77
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 2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide (CID 178125734) is 2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NCC#Cc2nn3c(N[C@@H]4CC[C@@H]5CC[C@H]4N5C)cccc3c2[Se]C(F)(F)F)s1.

What is the InChIKey of 2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide?

The InChIKey is WJSFTMFXJMQYRF-JFIYKMOQSA-N. The full InChI is InChI=1S/C24H25F3N6OSSe/c1-14-29-13-20(35-14)23(34)28-12-4-5-17-22(36-24(25,26)27)19-6-3-7-21(33(19)31-17)30-16-10-8-15-9-11-18(16)32(15)2/h3,6-7,13,15-16,18,30H,8-12H2,1-2H3,(H,28,34)/t15-,16-,18-/m1/s1.

What are the key properties of 2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide?

2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide has a molecular weight of 581.53 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 178125734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).