N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C24H21F7N4O4 — CID 154998188

About N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998188) has the molecular formula C24H21F7N4O4 and a molecular weight of 562.44 g/mol. Its IUPAC name is N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 154998188
• Molecular Formula: C24H21F7N4O4
• Molecular Weight: 562.44 g/mol
• Exact Mass: 562.15
• IUPAC Name: N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)Oc1cc2nc(C34CC(F)(C3)C4)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H20F4N4O2.C2HF3O2/c1-12(2)32-15-6-18-29-17(20-9-21(23,10-20)11-20)8-30(18)7-14(15)28-19(31)13-4-3-5-16(27-13)22(24,25)26;3-2(4,5)1(6)7/h3-8,12H,9-11H2,1-2H3,(H,28,31);(H,6,7)
• InChIKey: TVCUCXAZWXBAGF-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 105.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.44
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154998188) is N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is CC(C)Oc1cc2nc(C34CC(F)(C3)C4)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is TVCUCXAZWXBAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O2.C2HF3O2/c1-12(2)32-15-6-18-29-17(20-9-21(23,10-20)11-20)8-30(18)7-14(15)28-19(31)13-4-3-5-16(27-13)22(24,25)26;3-2(4,5)1(6)7/h3-8,12H,9-11H2,1-2H3,(H,28,31);(H,6,7).

What are the key properties of N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 562.44 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).