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

C26H26FN7O2 — CID 59641137

IUPACN-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESCOc1ccc(OCC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(NC5CCC5)n4)n32)nn1
InChIInChI=1S/C26H26FN7O2/c1-35-22-11-12-23(33-32-22)36-15-19-9-10-21-31-24(16-5-7-17(27)8-6-16)25(34(19)21)20-13-14-28-26(30-20)29-18-3-2-4-18/h5-8,11-14,18-19H,2-4,9-10,15H2,1H3,(H,28,29,30)
InChIKeyCWIGGNMYUVYHDI-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.48
Rot. Bonds8

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

N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (PubChem CID 59641137) has the molecular formula C26H26FN7O2 and a molecular weight of 487.54 g/mol. Its IUPAC name is N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
PubChem CID59641137
Molecular FormulaC26H26FN7O2
Molecular Weight487.54 g/mol
Exact Mass487.21
IUPAC NameN-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESCOc1ccc(OCC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(NC5CCC5)n4)n32)nn1
InChIInChI=1S/C26H26FN7O2/c1-35-22-11-12-23(33-32-22)36-15-19-9-10-21-31-24(16-5-7-17(27)8-6-16)25(34(19)21)20-13-14-28-26(30-20)29-18-3-2-4-18/h5-8,11-14,18-19H,2-4,9-10,15H2,1H3,(H,28,29,30)
InChIKeyCWIGGNMYUVYHDI-UHFFFAOYSA-N
XLogP4.48
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-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-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-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-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (CID 59641137) is N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-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-[(6-methoxypyridazin-3-yl)oxymethyl]-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-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is COc1ccc(OCC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(NC5CCC5)n4)n32)nn1.
What is the InChIKey of N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The InChIKey is CWIGGNMYUVYHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O2/c1-35-22-11-12-23(33-32-22)36-15-19-9-10-21-31-24(16-5-7-17(27)8-6-16)25(34(19)21)20-13-14-28-26(30-20)29-18-3-2-4-18/h5-8,11-14,18-19H,2-4,9-10,15H2,1H3,(H,28,29,30).
What are the key properties of N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine has a molecular weight of 487.54 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 59641137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).