5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione

C24H22FN5O3 — CID 69323477

IUPAC5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
InChIInChI=1S/C24H22FN5O3/c25-17-9-8-15(12-18-21-16(7-4-10-26-21)22(31)29-28-18)13-20(17)30-23(32)19(27-24(30)33)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,19,26H,4,7,10-12H2,(H,27,33)(H,29,31)
InChIKeyGNBZNAMOZJIDSI-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.53
Rot. Bonds5

About 5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione

5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione (PubChem CID 69323477) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione
PubChem CID69323477
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
InChIInChI=1S/C24H22FN5O3/c25-17-9-8-15(12-18-21-16(7-4-10-26-21)22(31)29-28-18)13-20(17)30-23(32)19(27-24(30)33)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,19,26H,4,7,10-12H2,(H,27,33)(H,29,31)
InChIKeyGNBZNAMOZJIDSI-UHFFFAOYSA-N
XLogP2.53
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

8-[[4-fluoro-3-(4-hydroxy-2-oxo-5-propan-2-yl-1H-imidazol-3-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 90898659
3-[2-fluoro-5-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 25006847
3-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoic acid
CID 59755768
8-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 69323817
(3S)-3-amino-1-[2-fluoro-5-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione
CID 69317778
5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
CID 43402824
2-fluoro-N-methyl-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-piperidin-4-ylbenzamide
CID 25119425
2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 25003643
1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidine-3-carboxamide
CID 25122973
N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 25118007
8-[[3-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 69321881
ethyl 4-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperazine-1-carboxylate
CID 69323501

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione (CID 69323477) is 5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione is O=C1NC(Cc2ccccc2)C(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F.
What is the InChIKey of 5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is GNBZNAMOZJIDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c25-17-9-8-15(12-18-21-16(7-4-10-26-21)22(31)29-28-18)13-20(17)30-23(32)19(27-24(30)33)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,19,26H,4,7,10-12H2,(H,27,33)(H,29,31).
What are the key properties of 5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione?
5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 447.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 69323477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).