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

C26H28FN7O2 — CID 59641057

IUPAC4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCOc1ccc(OCC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(NCC(C)C)n4)n32)nn1
InChIInChI=1S/C26H28FN7O2/c1-16(2)14-29-26-28-13-12-20(30-26)25-24(17-4-6-18(27)7-5-17)31-21-9-8-19(34(21)25)15-36-23-11-10-22(35-3)32-33-23/h4-7,10-13,16,19H,8-9,14-15H2,1-3H3,(H,28,29,30)
InChIKeyVNPUEROFEOVUBM-UHFFFAOYSA-N
MW489.56 g/mol
LogP4.58
Rot. Bonds9

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

4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 59641057) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID59641057
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCOc1ccc(OCC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(NCC(C)C)n4)n32)nn1
InChIInChI=1S/C26H28FN7O2/c1-16(2)14-29-26-28-13-12-20(30-26)25-24(17-4-6-18(27)7-5-17)31-21-9-8-19(34(21)25)15-36-23-11-10-22(35-3)32-33-23/h4-7,10-13,16,19H,8-9,14-15H2,1-3H3,(H,28,29,30)
InChIKeyVNPUEROFEOVUBM-UHFFFAOYSA-N
XLogP4.58
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine (CID 59641057) is 4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine is COc1ccc(OCC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(NCC(C)C)n4)n32)nn1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is VNPUEROFEOVUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-16(2)14-29-26-28-13-12-20(30-26)25-24(17-4-6-18(27)7-5-17)31-21-9-8-19(34(21)25)15-36-23-11-10-22(35-3)32-33-23/h4-7,10-13,16,19H,8-9,14-15H2,1-3H3,(H,28,29,30).
What are the key properties of 4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 489.56 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 59641057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).