3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine

C67H71F9N18O9 — CID 167676763

About 3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine

3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 167676763) has the molecular formula C67H71F9N18O9 and a molecular weight of 1443.40 g/mol. Its IUPAC name is 3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

• Compound Name: 3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
• PubChem CID: 167676763
• Molecular Formula: C67H71F9N18O9
• Molecular Weight: 1443.40 g/mol
• Exact Mass: 1442.55
• IUPAC Name: 3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
• SMILES: C.C.C.C.COC(=O)C1(C(=O)Nc2ccc(-c3cnc4cnccn34)c(F)c2)CC1.COC(=O)C1(C(=O)O)CC1.Cn1nc(N)cc1C(F)(F)F.Cn1nc(NC(=O)C2(C(=O)Nc3ccc(-c4cnc5cnccn45)c(F)c3)CC2)cc1C(F)(F)F.Nc1ccc(-c2cnc3cnccn23)c(F)c1
• InChI: InChI=1S/C22H17F4N7O2.C18H15FN4O3.C12H9FN4.C6H8O4.C5H6F3N3.4CH4/c1-32-16(22(24,25)26)9-17(31-32)30-20(35)21(4-5-21)19(34)29-12-2-3-13(14(23)8-12)15-10-28-18-11-27-6-7-33(15)18;1-26-17(25)18(4-5-18)16(24)22-11-2-3-12(13(19)8-11)14-9-21-15-10-20-6-7-23(14)15;13-10-5-8(14)1-2-9(10)11-6-16-12-7-15-3-4-17(11)12;1-10-5(9)6(2-3-6)4(7)8;1-11-3(5(6,7)8)2-4(9)10-11;;;;/h2-3,6-11H,4-5H2,1H3,(H,29,34)(H,30,31,35);2-3,6-10H,4-5H2,1H3,(H,22,24);1-7H,14H2;2-3H2,1H3,(H,7,8);2H,1H3,(H2,9,10);4*1H4
• InChIKey: UXVXASVLHDCQPX-UHFFFAOYSA-N
• XLogP: 11.78
• TPSA: 355.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1443.40
LogP ≤ 5	11.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?

The IUPAC name of 3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine (CID 167676763) is 3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine.

What is the SMILES notation for 3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?

The canonical SMILES for 3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine is C.C.C.C.COC(=O)C1(C(=O)Nc2ccc(-c3cnc4cnccn34)c(F)c2)CC1.COC(=O)C1(C(=O)O)CC1.Cn1nc(N)cc1C(F)(F)F.Cn1nc(NC(=O)C2(C(=O)Nc3ccc(-c4cnc5cnccn45)c(F)c3)CC2)cc1C(F)(F)F.Nc1ccc(-c2cnc3cnccn23)c(F)c1.

What is the InChIKey of 3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?

The InChIKey is UXVXASVLHDCQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N7O2.C18H15FN4O3.C12H9FN4.C6H8O4.C5H6F3N3.4CH4/c1-32-16(22(24,25)26)9-17(31-32)30-20(35)21(4-5-21)19(34)29-12-2-3-13(14(23)8-12)15-10-28-18-11-27-6-7-33(15)18;1-26-17(25)18(4-5-18)16(24)22-11-2-3-12(13(19)8-11)14-9-21-15-10-20-6-7-23(14)15;13-10-5-8(14)1-2-9(10)11-6-16-12-7-15-3-4-17(11)12;1-10-5(9)6(2-3-6)4(7)8;1-11-3(5(6,7)8)2-4(9)10-11;;;;/h2-3,6-11H,4-5H2,1H3,(H,29,34)(H,30,31,35);2-3,6-10H,4-5H2,1H3,(H,22,24);1-7H,14H2;2-3H2,1H3,(H,7,8);2H,1H3,(H2,9,10);4*1H4.

What are the key properties of 3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine?

3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 1443.40 g/mol, XLogP of 11.78, 12 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 167676763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).