4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine

C32H39FN6O2 — CID 71132118

IUPAC4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CN(CCCOC)Cc2ccc(OC)cc2)CC3)n1
InChIInChI=1S/C32H39FN6O2/c1-4-17-34-32-35-18-16-28(36-32)31-30(24-8-10-25(33)11-9-24)37-29-15-12-26(39(29)31)22-38(19-5-20-40-2)21-23-6-13-27(41-3)14-7-23/h6-11,13-14,16,18,26H,4-5,12,15,17,19-22H2,1-3H3,(H,34,35,36)
InChIKeyHQTDWUMEZKOFDT-UHFFFAOYSA-N
MW558.70 g/mol
LogP6.00
Rot. Bonds14

About 4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine

4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine (PubChem CID 71132118) has the molecular formula C32H39FN6O2 and a molecular weight of 558.70 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
PubChem CID71132118
Molecular FormulaC32H39FN6O2
Molecular Weight558.70 g/mol
Exact Mass558.31
IUPAC Name4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CN(CCCOC)Cc2ccc(OC)cc2)CC3)n1
InChIInChI=1S/C32H39FN6O2/c1-4-17-34-32-35-18-16-28(36-32)31-30(24-8-10-25(33)11-9-24)37-29-15-12-26(39(29)31)22-38(19-5-20-40-2)21-23-6-13-27(41-3)14-7-23/h6-11,13-14,16,18,26H,4-5,12,15,17,19-22H2,1-3H3,(H,34,35,36)
InChIKeyHQTDWUMEZKOFDT-UHFFFAOYSA-N
XLogP6.00
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.70
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine (CID 71132118) is 4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine is CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CN(CCCOC)Cc2ccc(OC)cc2)CC3)n1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
The InChIKey is HQTDWUMEZKOFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN6O2/c1-4-17-34-32-35-18-16-28(36-32)31-30(24-8-10-25(33)11-9-24)37-29-15-12-26(39(29)31)22-38(19-5-20-40-2)21-23-6-13-27(41-3)14-7-23/h6-11,13-14,16,18,26H,4-5,12,15,17,19-22H2,1-3H3,(H,34,35,36).
What are the key properties of 4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine has a molecular weight of 558.70 g/mol, XLogP of 6.00, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5-[[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 71132118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).