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

C20H14FN7O — CID 155788004

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-pyrazin-2-ylimidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnccn3)c2n1
InChIInChI=1S/C20H14FN7O/c21-16-1-2-18-13(3-6-29-18)14(16)8-25-20-26-9-15(17-10-23-4-5-24-17)19-27-12(7-22)11-28(19)20/h1-2,4-5,9-11H,3,6,8H2,(H,25,26)
InChIKeyUNEPUTDIPANHMW-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.74
Rot. Bonds4

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-pyrazin-2-ylimidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788004) has the molecular formula C20H14FN7O and a molecular weight of 387.38 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-pyrazin-2-ylimidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-pyrazin-2-ylimidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788004
Molecular FormulaC20H14FN7O
Molecular Weight387.38 g/mol
Exact Mass387.12
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-pyrazin-2-ylimidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnccn3)c2n1
InChIInChI=1S/C20H14FN7O/c21-16-1-2-18-13(3-6-29-18)14(16)8-25-20-26-9-15(17-10-23-4-5-24-17)19-27-12(7-22)11-28(19)20/h1-2,4-5,9-11H,3,6,8H2,(H,25,26)
InChIKeyUNEPUTDIPANHMW-UHFFFAOYSA-N
XLogP2.74
TPSA101.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-pyrazin-2-ylimidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-pyrazin-2-ylimidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788004) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-pyrazin-2-ylimidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-pyrazin-2-ylimidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-pyrazin-2-ylimidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnccn3)c2n1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-pyrazin-2-ylimidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is UNEPUTDIPANHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN7O/c21-16-1-2-18-13(3-6-29-18)14(16)8-25-20-26-9-15(17-10-23-4-5-24-17)19-27-12(7-22)11-28(19)20/h1-2,4-5,9-11H,3,6,8H2,(H,25,26).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-pyrazin-2-ylimidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-pyrazin-2-ylimidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 387.38 g/mol, XLogP of 2.74, 4 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-pyrazin-2-ylimidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).