1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione

C23H28FN5O3 — CID 134553849

IUPAC1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione
SMILESC[C@@H](NCCCCc1ccc(N2CC(=O)NC2=O)nn1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C23H28FN5O3/c1-15(17-7-9-19(24)20(12-17)32-14-16-5-6-16)25-11-3-2-4-18-8-10-21(28-27-18)29-13-22(30)26-23(29)31/h7-10,12,15-16,25H,2-6,11,13-14H2,1H3,(H,26,30,31)/t15-/m1/s1
InChIKeyXCADGGTUFXATHX-OAHLLOKOSA-N
MW441.51 g/mol
LogP3.13
Rot. Bonds11

About 1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione

1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione (PubChem CID 134553849) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is 1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione
PubChem CID134553849
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Name1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione
SMILESC[C@@H](NCCCCc1ccc(N2CC(=O)NC2=O)nn1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C23H28FN5O3/c1-15(17-7-9-19(24)20(12-17)32-14-16-5-6-16)25-11-3-2-4-18-8-10-21(28-27-18)29-13-22(30)26-23(29)31/h7-10,12,15-16,25H,2-6,11,13-14H2,1H3,(H,26,30,31)/t15-/m1/s1
InChIKeyXCADGGTUFXATHX-OAHLLOKOSA-N
XLogP3.13
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyrimidin-4-yl]-4-sulfanylideneimidazolidin-2-one
CID 134553564
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide
CID 155370232
1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
CID 134553848
1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione
CID 134553459
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[5-(2,4-dioxoimidazolidin-1-yl)-1H-pyrrol-2-yl]ethanesulfonamide
CID 155370062
3-[(Z)-7-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]hept-2-enyl]piperidine-2,6-dione
CID 134553801
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide
CID 155370072
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 146352863
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360249
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide
CID 155370165
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5-oxo-1,4-dihydropyrazol-3-yl)pentane-1-sulfonamide
CID 155370144
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-oxazol-2-yl]methanesulfonamide
CID 155370215

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione (CID 134553849) is 1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione is C[C@@H](NCCCCc1ccc(N2CC(=O)NC2=O)nn1)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione?
The InChIKey is XCADGGTUFXATHX-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28FN5O3/c1-15(17-7-9-19(24)20(12-17)32-14-16-5-6-16)25-11-3-2-4-18-8-10-21(28-27-18)29-13-22(30)26-23(29)31/h7-10,12,15-16,25H,2-6,11,13-14H2,1H3,(H,26,30,31)/t15-/m1/s1.
What are the key properties of 1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione?
1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione has a molecular weight of 441.51 g/mol, XLogP of 3.13, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 134553849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).