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

C27H25FN6O2 — CID 155788115

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN1CCOCC1c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
InChIInChI=1S/C27H25FN6O2/c1-33-9-11-35-16-24(33)18-4-2-17(3-5-18)21-13-30-27(34-15-19(12-29)32-26(21)34)31-14-22-20-8-10-36-25(20)7-6-23(22)28/h2-7,13,15,24H,8-11,14,16H2,1H3,(H,30,31)
InChIKeyGHGXGLCWQKLORM-UHFFFAOYSA-N
MW484.54 g/mol
LogP3.96
Rot. Bonds5

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788115) has the molecular formula C27H25FN6O2 and a molecular weight of 484.54 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788115
Molecular FormulaC27H25FN6O2
Molecular Weight484.54 g/mol
Exact Mass484.20
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN1CCOCC1c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
InChIInChI=1S/C27H25FN6O2/c1-33-9-11-35-16-24(33)18-4-2-17(3-5-18)21-13-30-27(34-15-19(12-29)32-26(21)34)31-14-22-20-8-10-36-25(20)7-6-23(22)28/h2-7,13,15,24H,8-11,14,16H2,1H3,(H,30,31)
InChIKeyGHGXGLCWQKLORM-UHFFFAOYSA-N
XLogP3.96
TPSA87.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile with MolForge

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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-[4-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788115) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylmorpholin-3-yl)phenyl]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-[4-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile is CN1CCOCC1c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is GHGXGLCWQKLORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O2/c1-33-9-11-35-16-24(33)18-4-2-17(3-5-18)21-13-30-27(34-15-19(12-29)32-26(21)34)31-14-22-20-8-10-36-25(20)7-6-23(22)28/h2-7,13,15,24H,8-11,14,16H2,1H3,(H,30,31).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 484.54 g/mol, XLogP of 3.96, 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-[4-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).