N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine

C19H14FN7O — CID 155788027

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 155788027) has the molecular formula C19H14FN7O and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 155788027
• Molecular Formula: C19H14FN7O
• Molecular Weight: 375.37 g/mol
• Exact Mass: 375.12
• IUPAC Name: N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
• SMILES: [C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccn[nH]3)c2n1
• InChI: InChI=1S/C19H14FN7O/c1-21-17-10-27-18(25-17)13(15-4-6-24-26-15)9-23-19(27)22-8-12-11-5-7-28-16(11)3-2-14(12)20/h2-4,6,9-10H,5,7-8H2,(H,22,23)(H,24,26)
• InChIKey: CXWXFKTXIYTKSI-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 84.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.37
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine (CID 155788027) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine is [C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccn[nH]3)c2n1.

What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is CXWXFKTXIYTKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7O/c1-21-17-10-27-18(25-17)13(15-4-6-24-26-15)9-23-19(27)22-8-12-11-5-7-28-16(11)3-2-14(12)20/h2-4,6,9-10H,5,7-8H2,(H,22,23)(H,24,26).

What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine?

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 375.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 155788027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).