1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one

C27H30FN5O2 — CID 164578984

IUPAC1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one
SMILESNc1ccc(-c2cc(-c3ccc(CN4CCN(CC5CCOCC5)C4=O)cc3)cnc2N)c(F)c1
InChIInChI=1S/C27H30FN5O2/c28-25-14-22(29)5-6-23(25)24-13-21(15-31-26(24)30)20-3-1-18(2-4-20)16-32-9-10-33(27(32)34)17-19-7-11-35-12-8-19/h1-6,13-15,19H,7-12,16-17,29H2,(H2,30,31)
InChIKeyOSWFZGCVQOSECE-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.38
Rot. Bonds6

About 1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one

1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one (PubChem CID 164578984) has the molecular formula C27H30FN5O2 and a molecular weight of 475.57 g/mol. Its IUPAC name is 1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one
PubChem CID164578984
Molecular FormulaC27H30FN5O2
Molecular Weight475.57 g/mol
Exact Mass475.24
IUPAC Name1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one
SMILESNc1ccc(-c2cc(-c3ccc(CN4CCN(CC5CCOCC5)C4=O)cc3)cnc2N)c(F)c1
InChIInChI=1S/C27H30FN5O2/c28-25-14-22(29)5-6-23(25)24-13-21(15-31-26(24)30)20-3-1-18(2-4-20)16-32-9-10-33(27(32)34)17-19-7-11-35-12-8-19/h1-6,13-15,19H,7-12,16-17,29H2,(H2,30,31)
InChIKeyOSWFZGCVQOSECE-UHFFFAOYSA-N
XLogP4.38
TPSA97.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(oxan-4-ylmethyl)-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidin-2-one
CID 164578962
3-[[4-[2-amino-5-(3,4-dihydroxyphenyl)-3-pyridinyl]-3-fluoroanilino]methyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
CID 118657313
3-[2-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(oxan-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-4-one
CID 158166502
3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 146424750
3-fluoro-4-(oxan-4-ylmethyl)aniline
CID 123894666
N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129110694
5-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]-2-[[(2R)-1,4-dioxan-2-yl]methoxy]phenol
CID 129135660
2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid
CID 175026818
N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid
CID 129110647
3-[2-[4-[2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]phenyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;methanesulfonic acid
CID 159732855
N-[4-[2-amino-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid
CID 129110657
1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one
CID 115512912

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one?
The IUPAC name of 1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one (CID 164578984) is 1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one is Nc1ccc(-c2cc(-c3ccc(CN4CCN(CC5CCOCC5)C4=O)cc3)cnc2N)c(F)c1.
What is the InChIKey of 1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one?
The InChIKey is OSWFZGCVQOSECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O2/c28-25-14-22(29)5-6-23(25)24-13-21(15-31-26(24)30)20-3-1-18(2-4-20)16-32-9-10-33(27(32)34)17-19-7-11-35-12-8-19/h1-6,13-15,19H,7-12,16-17,29H2,(H2,30,31).
What are the key properties of 1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one?
1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one has a molecular weight of 475.57 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]phenyl]methyl]-3-(oxan-4-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 164578984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).