5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile

C26H24FN7O — CID 155788009

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCCCC4)nc3)c2n1
InChIInChI=1S/C26H24FN7O/c27-22-5-6-23-19(8-11-35-23)21(22)15-31-26-30-14-20(25-32-18(12-28)16-34(25)26)17-4-7-24(29-13-17)33-9-2-1-3-10-33/h4-7,13-14,16H,1-3,8-11,15H2,(H,30,31)
InChIKeyVNOSDQWLFVYWRT-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.34
Rot. Bonds5

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788009) has the molecular formula C26H24FN7O and a molecular weight of 469.52 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788009
Molecular FormulaC26H24FN7O
Molecular Weight469.52 g/mol
Exact Mass469.20
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCCCC4)nc3)c2n1
InChIInChI=1S/C26H24FN7O/c27-22-5-6-23-19(8-11-35-23)21(22)15-31-26-30-14-20(25-32-18(12-28)16-34(25)26)17-4-7-24(29-13-17)33-9-2-1-3-10-33/h4-7,13-14,16H,1-3,8-11,15H2,(H,30,31)
InChIKeyVNOSDQWLFVYWRT-UHFFFAOYSA-N
XLogP4.34
TPSA91.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.34
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-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788009) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperidin-1-yl-3-pyridinyl)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-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCCCC4)nc3)c2n1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is VNOSDQWLFVYWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O/c27-22-5-6-23-19(8-11-35-23)21(22)15-31-26-30-14-20(25-32-18(12-28)16-34(25)26)17-4-7-24(29-13-17)33-9-2-1-3-10-33/h4-7,13-14,16H,1-3,8-11,15H2,(H,30,31).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 469.52 g/mol, XLogP of 4.34, 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-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).