8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine

C23H20FN7O2 — CID 155369182

IUPAC8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(-c4cnco4)nc23)n(C)n1
InChIInChI=1S/C23H20FN7O2/c1-13-7-19(30(2)29-13)16-9-27-23(31-11-18(28-22(16)31)21-10-25-12-33-21)26-8-15-14-5-6-32-20(14)4-3-17(15)24/h3-4,7,9-12H,5-6,8H2,1-2H3,(H,26,27)
InChIKeyFIABGGUWUBQLIX-UHFFFAOYSA-N
MW445.46 g/mol
LogP3.78
Rot. Bonds5

About 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine

8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 155369182) has the molecular formula C23H20FN7O2 and a molecular weight of 445.46 g/mol. Its IUPAC name is 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID155369182
Molecular FormulaC23H20FN7O2
Molecular Weight445.46 g/mol
Exact Mass445.17
IUPAC Name8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(-c4cnco4)nc23)n(C)n1
InChIInChI=1S/C23H20FN7O2/c1-13-7-19(30(2)29-13)16-9-27-23(31-11-18(28-22(16)31)21-10-25-12-33-21)26-8-15-14-5-6-32-20(14)4-3-17(15)24/h3-4,7,9-12H,5-6,8H2,1-2H3,(H,26,27)
InChIKeyFIABGGUWUBQLIX-UHFFFAOYSA-N
XLogP3.78
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine (CID 155369182) is 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(-c4cnco4)nc23)n(C)n1.
What is the InChIKey of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is FIABGGUWUBQLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O2/c1-13-7-19(30(2)29-13)16-9-27-23(31-11-18(28-22(16)31)21-10-25-12-33-21)26-8-15-14-5-6-32-20(14)4-3-17(15)24/h3-4,7,9-12H,5-6,8H2,1-2H3,(H,26,27).
What are the key properties of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine?
8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 445.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3-oxazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 155369182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).