5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile

C27H23FN6O3 — CID 155788135

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788135) has the molecular formula C27H23FN6O3 and a molecular weight of 498.52 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
• PubChem CID: 155788135
• Molecular Formula: C27H23FN6O3
• Molecular Weight: 498.52 g/mol
• Exact Mass: 498.18
• IUPAC Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
• SMILES: N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)N4CCOCC4)cc3)c2n1
• InChI: InChI=1S/C27H23FN6O3/c28-23-5-6-24-20(7-10-37-24)22(23)15-31-27-30-14-21(25-32-19(13-29)16-34(25)27)17-1-3-18(4-2-17)26(35)33-8-11-36-12-9-33/h1-6,14,16H,7-12,15H2,(H,30,31)
• InChIKey: FOEZFMSDBMCFGR-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 104.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.52
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788135) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)N4CCOCC4)cc3)c2n1.

What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The InChIKey is FOEZFMSDBMCFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O3/c28-23-5-6-24-20(7-10-37-24)22(23)15-31-27-30-14-21(25-32-19(13-29)16-34(25)27)17-1-3-18(4-2-17)26(35)33-8-11-36-12-9-33/h1-6,14,16H,7-12,15H2,(H,30,31).

What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 498.52 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).