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

C24H24FN7O2 — CID 59640993

IUPACN-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc(OC)nn2)CC3)n1
InChIInChI=1S/C24H24FN7O2/c1-3-26-24-27-13-12-18(28-24)23-22(15-4-6-16(25)7-5-15)29-19-9-8-17(32(19)23)14-34-21-11-10-20(33-2)30-31-21/h4-7,10-13,17H,3,8-9,14H2,1-2H3,(H,26,27,28)
InChIKeyMJZALKFSMLJDEP-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.94
Rot. Bonds8

About N-ethyl-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-ethyl-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 59640993) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is N-ethyl-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-ethyl-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 CID59640993
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC NameN-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc(OC)nn2)CC3)n1
InChIInChI=1S/C24H24FN7O2/c1-3-26-24-27-13-12-18(28-24)23-22(15-4-6-16(25)7-5-15)29-19-9-8-17(32(19)23)14-34-21-11-10-20(33-2)30-31-21/h4-7,10-13,17H,3,8-9,14H2,1-2H3,(H,26,27,28)
InChIKeyMJZALKFSMLJDEP-UHFFFAOYSA-N
XLogP3.94
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-ethyl-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-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-ethyl-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 59640993) is N-ethyl-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-ethyl-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-ethyl-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 CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc(OC)nn2)CC3)n1.
What is the InChIKey of N-ethyl-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 MJZALKFSMLJDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-3-26-24-27-13-12-18(28-24)23-22(15-4-6-16(25)7-5-15)29-19-9-8-17(32(19)23)14-34-21-11-10-20(33-2)30-31-21/h4-7,10-13,17H,3,8-9,14H2,1-2H3,(H,26,27,28).
What are the key properties of N-ethyl-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-ethyl-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 461.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-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 59640993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).