N-[6-[5-chloro-6-fluoro-7-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide

C21H15ClF5N7O2 — CID 176792855

About N-[6-[5-chloro-6-fluoro-7-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide

N-[6-[5-chloro-6-fluoro-7-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 176792855) has the molecular formula C21H15ClF5N7O2 and a molecular weight of 527.84 g/mol. Its IUPAC name is N-[6-[5-chloro-6-fluoro-7-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-[5-chloro-6-fluoro-7-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 176792855
• Molecular Formula: C21H15ClF5N7O2
• Molecular Weight: 527.84 g/mol
• Exact Mass: 527.09
• IUPAC Name: N-[6-[5-chloro-6-fluoro-7-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: C[C@H](NC(=O)C(F)(F)F)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)C4CC4F)nc3cn2)c2cn[nH]c12
• InChI: InChI=1S/C21H15ClF5N7O2/c1-7(30-20(36)21(25,26)27)14-17(24)16(22)15(9-3-29-33-18(9)14)11-5-34-6-12(31-13(34)4-28-11)32-19(35)8-2-10(8)23/h3-8,10H,2H2,1H3,(H,29,33)(H,30,36)(H,32,35)/t7-,8?,10?/m0/s1
• InChIKey: NNWGVHLYRWBOOJ-JEUQWKINSA-N
• XLogP: 4.10
• TPSA: 117.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.84
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[6-[5-chloro-6-fluoro-7-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 176792855) is N-[6-[5-chloro-6-fluoro-7-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

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

The canonical SMILES for N-[6-[5-chloro-6-fluoro-7-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is C[C@H](NC(=O)C(F)(F)F)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)C4CC4F)nc3cn2)c2cn[nH]c12.

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

The InChIKey is NNWGVHLYRWBOOJ-JEUQWKINSA-N. The full InChI is InChI=1S/C21H15ClF5N7O2/c1-7(30-20(36)21(25,26)27)14-17(24)16(22)15(9-3-29-33-18(9)14)11-5-34-6-12(31-13(34)4-28-11)32-19(35)8-2-10(8)23/h3-8,10H,2H2,1H3,(H,29,33)(H,30,36)(H,32,35)/t7-,8?,10?/m0/s1.

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

N-[6-[5-chloro-6-fluoro-7-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 527.84 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-chloro-6-fluoro-7-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 176792855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).