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

C24H21F4N7O2 — CID 176792872

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

N-[6-[7-[acetamido(cyclopropyl)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 176792872) has the molecular formula C24H21F4N7O2 and a molecular weight of 515.47 g/mol. Its IUPAC name is N-[6-[7-[acetamido(cyclopropyl)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-[7-[acetamido(cyclopropyl)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 176792872
• Molecular Formula: C24H21F4N7O2
• Molecular Weight: 515.47 g/mol
• Exact Mass: 515.17
• IUPAC Name: N-[6-[7-[acetamido(cyclopropyl)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: CC(=O)NC(c1c(F)c(C(F)F)c(-c2cn3cc(NC(=O)C4CC4F)nc3cn2)c2cn[nH]c12)C1CC1
• InChI: InChI=1S/C24H21F4N7O2/c1-9(36)31-21(10-2-3-10)19-20(26)18(23(27)28)17(12-5-30-34-22(12)19)14-7-35-8-15(32-16(35)6-29-14)33-24(37)11-4-13(11)25/h5-8,10-11,13,21,23H,2-4H2,1H3,(H,30,34)(H,31,36)(H,33,37)
• InChIKey: ADRRYENVTQXQSD-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 117.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.47
LogP ≤ 5	4.23
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]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of N-[6-[7-[acetamido(cyclopropyl)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 176792872) is N-[6-[7-[acetamido(cyclopropyl)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

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

The canonical SMILES for N-[6-[7-[acetamido(cyclopropyl)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(=O)NC(c1c(F)c(C(F)F)c(-c2cn3cc(NC(=O)C4CC4F)nc3cn2)c2cn[nH]c12)C1CC1.

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

The InChIKey is ADRRYENVTQXQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N7O2/c1-9(36)31-21(10-2-3-10)19-20(26)18(23(27)28)17(12-5-30-34-22(12)19)14-7-35-8-15(32-16(35)6-29-14)33-24(37)11-4-13(11)25/h5-8,10-11,13,21,23H,2-4H2,1H3,(H,30,34)(H,31,36)(H,33,37).

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

N-[6-[7-[acetamido(cyclopropyl)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 515.47 g/mol, XLogP of 4.23, 7 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]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 176792872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).