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

C26H24FN5O3 — CID 139371008

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCOCCOc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)c1
InChIInChI=1S/C26H24FN5O3/c1-16-11-18(34-10-9-33-2)3-4-19(16)22-14-30-26(32-15-17(12-28)31-25(22)32)29-13-21-20-7-8-35-24(20)6-5-23(21)27/h3-6,11,14-15H,7-10,13H2,1-2H3,(H,29,30)
InChIKeyDUXYHMYBFJIRAW-UHFFFAOYSA-N
MW473.51 g/mol
LogP4.29
Rot. Bonds8

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 139371008) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID139371008
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCOCCOc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)c1
InChIInChI=1S/C26H24FN5O3/c1-16-11-18(34-10-9-33-2)3-4-19(16)22-14-30-26(32-15-17(12-28)31-25(22)32)29-13-21-20-7-8-35-24(20)6-5-23(21)27/h3-6,11,14-15H,7-10,13H2,1-2H3,(H,29,30)
InChIKeyDUXYHMYBFJIRAW-UHFFFAOYSA-N
XLogP4.29
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 139371008) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(2-methoxyethoxy)-2-methylphenyl]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-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile is COCCOc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)c1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is DUXYHMYBFJIRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-16-11-18(34-10-9-33-2)3-4-19(16)22-14-30-26(32-15-17(12-28)31-25(22)32)29-13-21-20-7-8-35-24(20)6-5-23(21)27/h3-6,11,14-15H,7-10,13H2,1-2H3,(H,29,30).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 473.51 g/mol, XLogP of 4.29, 8 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-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 139371008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).