N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine

C26H24FN5O — CID 59641208

IUPACN-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)C(/C=C/c2ccco2)CC3)cc1
InChIInChI=1S/C26H24FN5O/c27-18-8-6-17(7-9-18)24-25(22-14-15-28-26(30-22)29-19-3-1-4-19)32-20(11-13-23(32)31-24)10-12-21-5-2-16-33-21/h2,5-10,12,14-16,19-20H,1,3-4,11,13H2,(H,28,29,30)/b12-10+
InChIKeyCSQBDRRHOUVKDQ-ZRDIBKRKSA-N
MW441.51 g/mol
LogP5.90
Rot. Bonds6

About N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine

N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (PubChem CID 59641208) has the molecular formula C26H24FN5O and a molecular weight of 441.51 g/mol. Its IUPAC name is N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
PubChem CID59641208
Molecular FormulaC26H24FN5O
Molecular Weight441.51 g/mol
Exact Mass441.20
IUPAC NameN-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)C(/C=C/c2ccco2)CC3)cc1
InChIInChI=1S/C26H24FN5O/c27-18-8-6-17(7-9-18)24-25(22-14-15-28-26(30-22)29-19-3-1-4-19)32-20(11-13-23(32)31-24)10-12-21-5-2-16-33-21/h2,5-10,12,14-16,19-20H,1,3-4,11,13H2,(H,28,29,30)/b12-10+
InChIKeyCSQBDRRHOUVKDQ-ZRDIBKRKSA-N
XLogP5.90
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (CID 59641208) is N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)C(/C=C/c2ccco2)CC3)cc1.
What is the InChIKey of N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The InChIKey is CSQBDRRHOUVKDQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C26H24FN5O/c27-18-8-6-17(7-9-18)24-25(22-14-15-28-26(30-22)29-19-3-1-4-19)32-20(11-13-23(32)31-24)10-12-21-5-2-16-33-21/h2,5-10,12,14-16,19-20H,1,3-4,11,13H2,(H,28,29,30)/b12-10+.
What are the key properties of N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine has a molecular weight of 441.51 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 59641208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).