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

C21H21FN6O — CID 155676928

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-piperidin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CCNCC3)c2n1
InChIInChI=1S/C21H21FN6O/c22-18-1-2-19-15(5-8-29-19)17(18)11-26-21-25-10-16(13-3-6-24-7-4-13)20-27-14(9-23)12-28(20)21/h1-2,10,12-13,24H,3-8,11H2,(H,25,26)
InChIKeyUSKDFXYKTAACBI-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.75
Rot. Bonds4

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-piperidin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155676928) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-piperidin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-piperidin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155676928
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-piperidin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CCNCC3)c2n1
InChIInChI=1S/C21H21FN6O/c22-18-1-2-19-15(5-8-29-19)17(18)11-26-21-25-10-16(13-3-6-24-7-4-13)20-27-14(9-23)12-28(20)21/h1-2,10,12-13,24H,3-8,11H2,(H,25,26)
InChIKeyUSKDFXYKTAACBI-UHFFFAOYSA-N
XLogP2.75
TPSA87.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-piperidin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-piperidin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155676928) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-piperidin-4-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-piperidin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-piperidin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CCNCC3)c2n1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-piperidin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is USKDFXYKTAACBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c22-18-1-2-19-15(5-8-29-19)17(18)11-26-21-25-10-16(13-3-6-24-7-4-13)20-27-14(9-23)12-28(20)21/h1-2,10,12-13,24H,3-8,11H2,(H,25,26).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-piperidin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-piperidin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 392.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-piperidin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155676928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).