8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide;5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide

C45H43FN14O4 — CID 171794265

About 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide;5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide

8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide;5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 171794265) has the molecular formula C45H43FN14O4 and a molecular weight of 862.93 g/mol. Its IUPAC name is 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide;5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide;5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
• PubChem CID: 171794265
• Molecular Formula: C45H43FN14O4
• Molecular Weight: 862.93 g/mol
• Exact Mass: 862.36
• IUPAC Name: 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide;5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
• SMILES: Cc1cc(-c2cnc(NCc3cccc4c3CCO4)n3cc(C(N)=O)nc23)n(C)n1.Cc1nc(C2CC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(N)=O)nc12
• InChI: InChI=1S/C24H22FN7O2.C21H21N7O2/c1-12-15(8-27-22(30-12)13-2-3-13)17-10-29-24(32-11-19(21(26)33)31-23(17)32)28-9-16-14-6-7-34-20(14)5-4-18(16)25;1-12-8-17(27(2)26-12)15-10-24-21(28-11-16(19(22)29)25-20(15)28)23-9-13-4-3-5-18-14(13)6-7-30-18/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H2,26,33)(H,28,29);3-5,8,10-11H,6-7,9H2,1-2H3,(H2,22,29)(H,23,24)
• InChIKey: FEVHDSHCFLNKJY-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 232.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	862.93
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide;5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?

The IUPAC name of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide;5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide (CID 171794265) is 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide;5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide.

What is the SMILES notation for 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide;5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?

The canonical SMILES for 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide;5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide is Cc1cc(-c2cnc(NCc3cccc4c3CCO4)n3cc(C(N)=O)nc23)n(C)n1.Cc1nc(C2CC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(N)=O)nc12.

What is the InChIKey of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide;5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?

The InChIKey is FEVHDSHCFLNKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O2.C21H21N7O2/c1-12-15(8-27-22(30-12)13-2-3-13)17-10-29-24(32-11-19(21(26)33)31-23(17)32)28-9-16-14-6-7-34-20(14)5-4-18(16)25;1-12-8-17(27(2)26-12)15-10-24-21(28-11-16(19(22)29)25-20(15)28)23-9-13-4-3-5-18-14(13)6-7-30-18/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H2,26,33)(H,28,29);3-5,8,10-11H,6-7,9H2,1-2H3,(H2,22,29)(H,23,24).

What are the key properties of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide;5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?

8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide;5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 862.93 g/mol, XLogP of 5.24, 11 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide;5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-8-(2,5-dimethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 171794265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).