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

C26H21FN6O2 — CID 155788065

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN1CCc2cc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)ccc2C1=O
InChIInChI=1S/C26H21FN6O2/c1-32-8-6-16-10-15(2-3-18(16)25(32)34)20-12-29-26(33-14-17(11-28)31-24(20)33)30-13-21-19-7-9-35-23(19)5-4-22(21)27/h2-5,10,12,14H,6-9,13H2,1H3,(H,29,30)
InChIKeyBINKQLRJNWVEBR-UHFFFAOYSA-N
MW468.49 g/mol
LogP3.58
Rot. Bonds4

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788065) has the molecular formula C26H21FN6O2 and a molecular weight of 468.49 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788065
Molecular FormulaC26H21FN6O2
Molecular Weight468.49 g/mol
Exact Mass468.17
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN1CCc2cc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)ccc2C1=O
InChIInChI=1S/C26H21FN6O2/c1-32-8-6-16-10-15(2-3-18(16)25(32)34)20-12-29-26(33-14-17(11-28)31-24(20)33)30-13-21-19-7-9-35-23(19)5-4-22(21)27/h2-5,10,12,14H,6-9,13H2,1H3,(H,29,30)
InChIKeyBINKQLRJNWVEBR-UHFFFAOYSA-N
XLogP3.58
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
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-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788065) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-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-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile is CN1CCc2cc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)ccc2C1=O.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is BINKQLRJNWVEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6O2/c1-32-8-6-16-10-15(2-3-18(16)25(32)34)20-12-29-26(33-14-17(11-28)31-24(20)33)30-13-21-19-7-9-35-23(19)5-4-22(21)27/h2-5,10,12,14H,6-9,13H2,1H3,(H,29,30).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 468.49 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 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-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).