N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide

C24H21F4N7O2 — CID 169196119

About N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide

N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 169196119) has the molecular formula C24H21F4N7O2 and a molecular weight of 515.47 g/mol. Its IUPAC name is N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide
• PubChem CID: 169196119
• Molecular Formula: C24H21F4N7O2
• Molecular Weight: 515.47 g/mol
• Exact Mass: 515.17
• IUPAC Name: N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide
• SMILES: CC(=O)NC(c1c(F)c(C(F)(F)F)c(-c2cn3cc(NC(=O)C4CC4)nc3cn2)c2cn[nH]c12)C1CC1
• InChI: InChI=1S/C24H21F4N7O2/c1-10(36)31-21(11-2-3-11)18-20(25)19(24(26,27)28)17(13-6-30-34-22(13)18)14-8-35-9-15(32-16(35)7-29-14)33-23(37)12-4-5-12/h6-9,11-12,21H,2-5H2,1H3,(H,30,34)(H,31,36)(H,33,37)
• InChIKey: FMGMIRXQUKWPEX-UHFFFAOYSA-N
• XLogP: 4.37
• 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	515.47
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide (CID 169196119) is N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide is CC(=O)NC(c1c(F)c(C(F)(F)F)c(-c2cn3cc(NC(=O)C4CC4)nc3cn2)c2cn[nH]c12)C1CC1.

What is the InChIKey of N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide?

The InChIKey is FMGMIRXQUKWPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N7O2/c1-10(36)31-21(11-2-3-11)18-20(25)19(24(26,27)28)17(13-6-30-34-22(13)18)14-8-35-9-15(32-16(35)7-29-14)33-23(37)12-4-5-12/h6-9,11-12,21H,2-5H2,1H3,(H,30,34)(H,31,36)(H,33,37).

What are the key properties of N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide?

N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 515.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 169196119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).