N-cyclopropyl-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

C25H22FN5O — CID 59640955

IUPACN-cyclopropyl-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(NC4CC4)n2)C(/C=C/c2ccco2)CC3)cc1
InChIInChI=1S/C25H22FN5O/c26-17-5-3-16(4-6-17)23-24(21-13-14-27-25(29-21)28-18-7-8-18)31-19(10-12-22(31)30-23)9-11-20-2-1-15-32-20/h1-6,9,11,13-15,18-19H,7-8,10,12H2,(H,27,28,29)/b11-9+
InChIKeyYWYQTLLMIQWWPG-PKNBQFBNSA-N
MW427.48 g/mol
LogP5.51
Rot. Bonds6

About N-cyclopropyl-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-cyclopropyl-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 59640955) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is N-cyclopropyl-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-cyclopropyl-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 CID59640955
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC NameN-cyclopropyl-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(NC4CC4)n2)C(/C=C/c2ccco2)CC3)cc1
InChIInChI=1S/C25H22FN5O/c26-17-5-3-16(4-6-17)23-24(21-13-14-27-25(29-21)28-18-7-8-18)31-19(10-12-22(31)30-23)9-11-20-2-1-15-32-20/h1-6,9,11,13-15,18-19H,7-8,10,12H2,(H,27,28,29)/b11-9+
InChIKeyYWYQTLLMIQWWPG-PKNBQFBNSA-N
XLogP5.51
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-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-cyclopropyl-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 59640955) is N-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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(NC4CC4)n2)C(/C=C/c2ccco2)CC3)cc1.
What is the InChIKey of N-cyclopropyl-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 YWYQTLLMIQWWPG-PKNBQFBNSA-N. The full InChI is InChI=1S/C25H22FN5O/c26-17-5-3-16(4-6-17)23-24(21-13-14-27-25(29-21)28-18-7-8-18)31-19(10-12-22(31)30-23)9-11-20-2-1-15-32-20/h1-6,9,11,13-15,18-19H,7-8,10,12H2,(H,27,28,29)/b11-9+.
What are the key properties of N-cyclopropyl-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-cyclopropyl-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 427.48 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-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 59640955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).