cis-(1S,2S)-N-[6-[7-(1-acetamidopropan-2-yl)-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide

C23H20F5N7O2 — CID 169195908

About cis-(1S,2S)-N-[6-[7-(1-acetamidopropan-2-yl)-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[6-[7-(1-acetamidopropan-2-yl)-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 169195908) has the molecular formula C23H20F5N7O2 and a molecular weight of 521.45 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[7-(1-acetamidopropan-2-yl)-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2S)-N-[6-[7-(1-acetamidopropan-2-yl)-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 169195908
• Molecular Formula: C23H20F5N7O2
• Molecular Weight: 521.45 g/mol
• Exact Mass: 521.16
• IUPAC Name: cis-(1S,2S)-N-[6-[7-(1-acetamidopropan-2-yl)-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: CC(=O)NCC(C)c1c(F)c(C(F)(F)F)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
• InChI: InChI=1S/C23H20F5N7O2/c1-9(4-29-10(2)36)17-20(25)19(23(26,27)28)18(12-5-31-34-21(12)17)14-7-35-8-15(32-16(35)6-30-14)33-22(37)11-3-13(11)24/h5-9,11,13H,3-4H2,1-2H3,(H,29,36)(H,31,34)(H,33,37)/t9?,11-,13+/m1/s1
• InChIKey: KWTALXOHSVVJLR-WPLSFSDESA-N
• XLogP: 3.97
• TPSA: 117.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.45
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[7-(1-acetamidopropan-2-yl)-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,2S)-N-[6-[7-(1-acetamidopropan-2-yl)-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 169195908) is cis-(1S,2S)-N-[6-[7-(1-acetamidopropan-2-yl)-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,2S)-N-[6-[7-(1-acetamidopropan-2-yl)-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2S)-N-[6-[7-(1-acetamidopropan-2-yl)-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(=O)NCC(C)c1c(F)c(C(F)(F)F)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12.

What is the InChIKey of cis-(1S,2S)-N-[6-[7-(1-acetamidopropan-2-yl)-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is KWTALXOHSVVJLR-WPLSFSDESA-N. The full InChI is InChI=1S/C23H20F5N7O2/c1-9(4-29-10(2)36)17-20(25)19(23(26,27)28)18(12-5-31-34-21(12)17)14-7-35-8-15(32-16(35)6-30-14)33-22(37)11-3-13(11)24/h5-9,11,13H,3-4H2,1-2H3,(H,29,36)(H,31,34)(H,33,37)/t9?,11-,13+/m1/s1.

What are the key properties of cis-(1S,2S)-N-[6-[7-(1-acetamidopropan-2-yl)-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

cis-(1S,2S)-N-[6-[7-(1-acetamidopropan-2-yl)-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 521.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[6-[7-(1-acetamidopropan-2-yl)-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 169195908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).