cyclopropane;N-[cyclopropyl-[5-(difluoromethyl)-6-fluoro-4-(2-formamidoimidazo[1,2-a]pyrazin-6-yl)-1H-indazol-7-yl]methyl]acetamide

C24H24F3N7O2 — CID 169196209

About cyclopropane;N-[cyclopropyl-[5-(difluoromethyl)-6-fluoro-4-(2-formamidoimidazo[1,2-a]pyrazin-6-yl)-1H-indazol-7-yl]methyl]acetamide

cyclopropane;N-[cyclopropyl-[5-(difluoromethyl)-6-fluoro-4-(2-formamidoimidazo[1,2-a]pyrazin-6-yl)-1H-indazol-7-yl]methyl]acetamide (PubChem CID 169196209) has the molecular formula C24H24F3N7O2 and a molecular weight of 499.50 g/mol. Its IUPAC name is cyclopropane;N-[cyclopropyl-[5-(difluoromethyl)-6-fluoro-4-(2-formamidoimidazo[1,2-a]pyrazin-6-yl)-1H-indazol-7-yl]methyl]acetamide.

Molecular Properties

• Compound Name: cyclopropane;N-[cyclopropyl-[5-(difluoromethyl)-6-fluoro-4-(2-formamidoimidazo[1,2-a]pyrazin-6-yl)-1H-indazol-7-yl]methyl]acetamide
• PubChem CID: 169196209
• Molecular Formula: C24H24F3N7O2
• Molecular Weight: 499.50 g/mol
• Exact Mass: 499.19
• IUPAC Name: cyclopropane;N-[cyclopropyl-[5-(difluoromethyl)-6-fluoro-4-(2-formamidoimidazo[1,2-a]pyrazin-6-yl)-1H-indazol-7-yl]methyl]acetamide
• SMILES: C1CC1.CC(=O)NC(c1c(F)c(C(F)F)c(-c2cn3cc(NC=O)nc3cn2)c2cn[nH]c12)C1CC1
• InChI: InChI=1S/C21H18F3N7O2.C3H6/c1-9(33)28-19(10-2-3-10)17-18(22)16(21(23)24)15(11-4-27-30-20(11)17)12-6-31-7-13(26-8-32)29-14(31)5-25-12;1-2-3-1/h4-8,10,19,21H,2-3H2,1H3,(H,26,32)(H,27,30)(H,28,33);1-3H2
• InChIKey: XBFCBVGMEBKPQF-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 117.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.50
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropane;N-[cyclopropyl-[5-(difluoromethyl)-6-fluoro-4-(2-formamidoimidazo[1,2-a]pyrazin-6-yl)-1H-indazol-7-yl]methyl]acetamide?

The IUPAC name of cyclopropane;N-[cyclopropyl-[5-(difluoromethyl)-6-fluoro-4-(2-formamidoimidazo[1,2-a]pyrazin-6-yl)-1H-indazol-7-yl]methyl]acetamide (CID 169196209) is cyclopropane;N-[cyclopropyl-[5-(difluoromethyl)-6-fluoro-4-(2-formamidoimidazo[1,2-a]pyrazin-6-yl)-1H-indazol-7-yl]methyl]acetamide.

What is the SMILES notation for cyclopropane;N-[cyclopropyl-[5-(difluoromethyl)-6-fluoro-4-(2-formamidoimidazo[1,2-a]pyrazin-6-yl)-1H-indazol-7-yl]methyl]acetamide?

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

What is the InChIKey of cyclopropane;N-[cyclopropyl-[5-(difluoromethyl)-6-fluoro-4-(2-formamidoimidazo[1,2-a]pyrazin-6-yl)-1H-indazol-7-yl]methyl]acetamide?

The InChIKey is XBFCBVGMEBKPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O2.C3H6/c1-9(33)28-19(10-2-3-10)17-18(22)16(21(23)24)15(11-4-27-30-20(11)17)12-6-31-7-13(26-8-32)29-14(31)5-25-12;1-2-3-1/h4-8,10,19,21H,2-3H2,1H3,(H,26,32)(H,27,30)(H,28,33);1-3H2.

What are the key properties of cyclopropane;N-[cyclopropyl-[5-(difluoromethyl)-6-fluoro-4-(2-formamidoimidazo[1,2-a]pyrazin-6-yl)-1H-indazol-7-yl]methyl]acetamide?

cyclopropane;N-[cyclopropyl-[5-(difluoromethyl)-6-fluoro-4-(2-formamidoimidazo[1,2-a]pyrazin-6-yl)-1H-indazol-7-yl]methyl]acetamide has a molecular weight of 499.50 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropane;N-[cyclopropyl-[5-(difluoromethyl)-6-fluoro-4-(2-formamidoimidazo[1,2-a]pyrazin-6-yl)-1H-indazol-7-yl]methyl]acetamide is sourced from PubChem (CID 169196209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).