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

C21H18FN7O2 — CID 155788179

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxyethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788179) has the molecular formula C21H18FN7O2 and a molecular weight of 419.42 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxyethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxyethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
• PubChem CID: 155788179
• Molecular Formula: C21H18FN7O2
• Molecular Weight: 419.42 g/mol
• Exact Mass: 419.15
• IUPAC Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxyethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
• SMILES: N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(CCO)c3)c2n1
• InChI: InChI=1S/C21H18FN7O2/c22-18-1-2-19-15(3-6-31-19)17(18)10-25-21-24-9-16(13-8-26-28(11-13)4-5-30)20-27-14(7-23)12-29(20)21/h1-2,8-9,11-12,30H,3-6,10H2,(H,24,25)
• InChIKey: FWRKPJUHHIDPEE-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 113.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.42
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxyethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788179) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxyethyl)pyrazol-4-yl]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-[1-(2-hydroxyethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxyethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(CCO)c3)c2n1.

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

The InChIKey is FWRKPJUHHIDPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O2/c22-18-1-2-19-15(3-6-31-19)17(18)10-25-21-24-9-16(13-8-26-28(11-13)4-5-30)20-27-14(7-23)12-29(20)21/h1-2,8-9,11-12,30H,3-6,10H2,(H,24,25).

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxyethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 419.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxyethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).