2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one

C24H21F2N5O2 — CID 146622942

IUPAC2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(OC3CC3)cc(-c3cncc(F)c3)c2)(c2ccnc(CF)c2)N=C1N
InChIInChI=1S/C24H21F2N5O2/c1-31-22(32)24(30-23(31)27,16-4-5-29-19(9-16)11-25)17-6-14(15-7-18(26)13-28-12-15)8-21(10-17)33-20-2-3-20/h4-10,12-13,20H,2-3,11H2,1H3,(H2,27,30)
InChIKeyYULZDMILLHGHKL-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.32
Rot. Bonds6

About 2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one

2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one (PubChem CID 146622942) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is 2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
PubChem CID146622942
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC Name2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(OC3CC3)cc(-c3cncc(F)c3)c2)(c2ccnc(CF)c2)N=C1N
InChIInChI=1S/C24H21F2N5O2/c1-31-22(32)24(30-23(31)27,16-4-5-29-19(9-16)11-25)17-6-14(15-7-18(26)13-28-12-15)8-21(10-17)33-20-2-3-20/h4-10,12-13,20H,2-3,11H2,1H3,(H2,27,30)
InChIKeyYULZDMILLHGHKL-UHFFFAOYSA-N
XLogP3.32
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one (CID 146622942) is 2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one is CN1C(=O)C(c2cc(OC3CC3)cc(-c3cncc(F)c3)c2)(c2ccnc(CF)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The InChIKey is YULZDMILLHGHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-31-22(32)24(30-23(31)27,16-4-5-29-19(9-16)11-25)17-6-14(15-7-18(26)13-28-12-15)8-21(10-17)33-20-2-3-20/h4-10,12-13,20H,2-3,11H2,1H3,(H2,27,30).
What are the key properties of 2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one has a molecular weight of 449.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one is sourced from PubChem (CID 146622942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).