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

C26H24FN5S — CID 59641144

IUPACN-cyclobutyl-4-[(5S)-2-(4-fluorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)[C@H](/C=C/c2cccs2)CC3)cc1
InChIInChI=1S/C26H24FN5S/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+/t20-/m1/s1
InChIKeyQDIMOEHSLIRRKM-ZAHGZRRWSA-N
MW457.58 g/mol
LogP6.37
Rot. Bonds6

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

N-cyclobutyl-4-[(5S)-2-(4-fluorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (PubChem CID 59641144) has the molecular formula C26H24FN5S and a molecular weight of 457.58 g/mol. Its IUPAC name is N-cyclobutyl-4-[(5S)-2-(4-fluorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclobutyl-4-[(5S)-2-(4-fluorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
PubChem CID59641144
Molecular FormulaC26H24FN5S
Molecular Weight457.58 g/mol
Exact Mass457.17
IUPAC NameN-cyclobutyl-4-[(5S)-2-(4-fluorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)[C@H](/C=C/c2cccs2)CC3)cc1
InChIInChI=1S/C26H24FN5S/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+/t20-/m1/s1
InChIKeyQDIMOEHSLIRRKM-ZAHGZRRWSA-N
XLogP6.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclobutyl-4-[(5S)-2-(4-fluorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-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-cyclobutyl-4-[(5S)-2-(4-fluorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclobutyl-4-[(5S)-2-(4-fluorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (CID 59641144) is N-cyclobutyl-4-[(5S)-2-(4-fluorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclobutyl-4-[(5S)-2-(4-fluorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclobutyl-4-[(5S)-2-(4-fluorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)[C@H](/C=C/c2cccs2)CC3)cc1.
What is the InChIKey of N-cyclobutyl-4-[(5S)-2-(4-fluorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The InChIKey is QDIMOEHSLIRRKM-ZAHGZRRWSA-N. The full InChI is InChI=1S/C26H24FN5S/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+/t20-/m1/s1.
What are the key properties of N-cyclobutyl-4-[(5S)-2-(4-fluorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
N-cyclobutyl-4-[(5S)-2-(4-fluorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine has a molecular weight of 457.58 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-[(5S)-2-(4-fluorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 59641144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).