2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;azane;tert-butyl N-[2-acetyl-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;2,2,2-trifluoroacetaldehyde

C78H89F6N21O9 — CID 167664699

About 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;azane;tert-butyl N-[2-acetyl-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;2,2,2-trifluoroacetaldehyde

2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;azane;tert-butyl N-[2-acetyl-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;2,2,2-trifluoroacetaldehyde (PubChem CID 167664699) has the molecular formula C78H89F6N21O9 and a molecular weight of 1578.70 g/mol. Its IUPAC name is 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;azane;tert-butyl N-[2-acetyl-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;azane;tert-butyl N-[2-acetyl-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;2,2,2-trifluoroacetaldehyde
• PubChem CID: 167664699
• Molecular Formula: C78H89F6N21O9
• Molecular Weight: 1578.70 g/mol
• Exact Mass: 1577.71
• IUPAC Name: 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;azane;tert-butyl N-[2-acetyl-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;2,2,2-trifluoroacetaldehyde
• SMILES: CC(=O)c1cn2c(N(Cc3c(F)ccc4c3CCO4)C(=O)OC(C)(C)C)ncc(-c3cc(C)nn3C)c2n1.Cc1cc(-c2cnc(N(Cc3c(F)ccc4c3CCO4)C(=O)OC(C)(C)C)n3cc(C(C)N)nc23)n(C)n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(C)N)nc23)n(C)n1.N.O=CC(F)(F)F
• InChI: InChI=1S/C27H32FN7O3.C27H29FN6O4.C22H24FN7O.C2HF3O.H3N/c1-15-11-22(33(6)32-15)18-12-30-25(34-14-21(16(2)29)31-24(18)34)35(26(36)38-27(3,4)5)13-19-17-9-10-37-23(17)8-7-20(19)28;1-15-11-22(32(6)31-15)18-12-29-25(33-14-21(16(2)35)30-24(18)33)34(26(36)38-27(3,4)5)13-19-17-9-10-37-23(17)8-7-20(19)28;1-12-8-19(29(3)28-12)16-10-26-22(30-11-18(13(2)24)27-21(16)30)25-9-15-14-6-7-31-20(14)5-4-17(15)23;3-2(4,5)1-6;/h7-8,11-12,14,16H,9-10,13,29H2,1-6H3;7-8,11-12,14H,9-10,13H2,1-6H3;4-5,8,10-11,13H,6-7,9,24H2,1-3H3,(H,25,26);1H;1H3
• InChIKey: LPSTVUKWLCNDTQ-UHFFFAOYSA-N
• XLogP: 13.18
• TPSA: 364.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1578.70
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;azane;tert-butyl N-[2-acetyl-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;azane;tert-butyl N-[2-acetyl-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;2,2,2-trifluoroacetaldehyde (CID 167664699) is 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;azane;tert-butyl N-[2-acetyl-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;azane;tert-butyl N-[2-acetyl-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;azane;tert-butyl N-[2-acetyl-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;2,2,2-trifluoroacetaldehyde is CC(=O)c1cn2c(N(Cc3c(F)ccc4c3CCO4)C(=O)OC(C)(C)C)ncc(-c3cc(C)nn3C)c2n1.Cc1cc(-c2cnc(N(Cc3c(F)ccc4c3CCO4)C(=O)OC(C)(C)C)n3cc(C(C)N)nc23)n(C)n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(C)N)nc23)n(C)n1.N.O=CC(F)(F)F.

What is the InChIKey of 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;azane;tert-butyl N-[2-acetyl-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;2,2,2-trifluoroacetaldehyde?

The InChIKey is LPSTVUKWLCNDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7O3.C27H29FN6O4.C22H24FN7O.C2HF3O.H3N/c1-15-11-22(33(6)32-15)18-12-30-25(34-14-21(16(2)29)31-24(18)34)35(26(36)38-27(3,4)5)13-19-17-9-10-37-23(17)8-7-20(19)28;1-15-11-22(32(6)31-15)18-12-29-25(33-14-21(16(2)35)30-24(18)33)34(26(36)38-27(3,4)5)13-19-17-9-10-37-23(17)8-7-20(19)28;1-12-8-19(29(3)28-12)16-10-26-22(30-11-18(13(2)24)27-21(16)30)25-9-15-14-6-7-31-20(14)5-4-17(15)23;3-2(4,5)1-6;/h7-8,11-12,14,16H,9-10,13,29H2,1-6H3;7-8,11-12,14H,9-10,13H2,1-6H3;4-5,8,10-11,13H,6-7,9,24H2,1-3H3,(H,25,26);1H;1H3.

What are the key properties of 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;azane;tert-butyl N-[2-acetyl-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;2,2,2-trifluoroacetaldehyde?

2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;azane;tert-butyl N-[2-acetyl-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;2,2,2-trifluoroacetaldehyde has a molecular weight of 1578.70 g/mol, XLogP of 13.18, 15 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;azane;tert-butyl N-[2-acetyl-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 167664699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).