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

C27H22ClFN6O — CID 59640858

IUPAC4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2cc(Cl)c4ccccc4n2)CC3)n1
InChIInChI=1S/C27H22ClFN6O/c1-30-27-31-13-12-22(33-27)26-25(16-6-8-17(29)9-7-16)34-23-11-10-18(35(23)26)15-36-24-14-20(28)19-4-2-3-5-21(19)32-24/h2-9,12-14,18H,10-11,15H2,1H3,(H,30,31,33)
InChIKeyACNNRLPYBJZHCG-UHFFFAOYSA-N
MW500.97 g/mol
LogP5.96
Rot. Bonds6

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

4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine (PubChem CID 59640858) has the molecular formula C27H22ClFN6O and a molecular weight of 500.97 g/mol. Its IUPAC name is 4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine
PubChem CID59640858
Molecular FormulaC27H22ClFN6O
Molecular Weight500.97 g/mol
Exact Mass500.15
IUPAC Name4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2cc(Cl)c4ccccc4n2)CC3)n1
InChIInChI=1S/C27H22ClFN6O/c1-30-27-31-13-12-22(33-27)26-25(16-6-8-17(29)9-7-16)34-23-11-10-18(35(23)26)15-36-24-14-20(28)19-4-2-3-5-21(19)32-24/h2-9,12-14,18H,10-11,15H2,1H3,(H,30,31,33)
InChIKeyACNNRLPYBJZHCG-UHFFFAOYSA-N
XLogP5.96
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.97
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine (CID 59640858) is 4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine is CNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2cc(Cl)c4ccccc4n2)CC3)n1.
What is the InChIKey of 4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine?
The InChIKey is ACNNRLPYBJZHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN6O/c1-30-27-31-13-12-22(33-27)26-25(16-6-8-17(29)9-7-16)34-23-11-10-18(35(23)26)15-36-24-14-20(28)19-4-2-3-5-21(19)32-24/h2-9,12-14,18H,10-11,15H2,1H3,(H,30,31,33).
What are the key properties of 4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine?
4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine has a molecular weight of 500.97 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 59640858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).