1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one

C30H24FN5O5 — CID 163439084

IUPAC1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one
SMILESCOc1cc2nccc(Oc3cnc(CC(=O)c4nn(C5CC5)cc(-c5ccc(F)cc5)c4=O)nc3)c2cc1OC
InChIInChI=1S/C30H24FN5O5/c1-39-26-11-21-23(12-27(26)40-2)32-10-9-25(21)41-20-14-33-28(34-15-20)13-24(37)29-30(38)22(16-36(35-29)19-7-8-19)17-3-5-18(31)6-4-17/h3-6,9-12,14-16,19H,7-8,13H2,1-2H3
InChIKeyRUMUBAGNHXOASH-UHFFFAOYSA-N
MW553.55 g/mol
LogP4.96
Rot. Bonds9

About 1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one

1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one (PubChem CID 163439084) has the molecular formula C30H24FN5O5 and a molecular weight of 553.55 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one
PubChem CID163439084
Molecular FormulaC30H24FN5O5
Molecular Weight553.55 g/mol
Exact Mass553.18
IUPAC Name1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one
SMILESCOc1cc2nccc(Oc3cnc(CC(=O)c4nn(C5CC5)cc(-c5ccc(F)cc5)c4=O)nc3)c2cc1OC
InChIInChI=1S/C30H24FN5O5/c1-39-26-11-21-23(12-27(26)40-2)32-10-9-25(21)41-20-14-33-28(34-15-20)13-24(37)29-30(38)22(16-36(35-29)19-7-8-19)17-3-5-18(31)6-4-17/h3-6,9-12,14-16,19H,7-8,13H2,1-2H3
InChIKeyRUMUBAGNHXOASH-UHFFFAOYSA-N
XLogP4.96
TPSA118.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.55
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridin-4-one
CID 163609579
1-cyclopropyl-N-[2-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-5-yl]-5-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
CID 146418786
1-cyclopropyl-5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-3-(4-fluorophenyl)pyridazin-4-one;2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylic acid;2-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-5-amine
CID 163835225
5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one
CID 147031383
1-cyclopropyl-3-[2-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-3-pyridinyl]acetyl]-5-(4-fluorophenyl)pyridin-4-one
CID 167669509
3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one
CID 159384472
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methyl-5-(4-methylphenyl)-1-(oxan-4-yl)-4-oxopyridazine-3-carboxamide
CID 139336944
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide
CID 139336947
3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(thian-4-ylmethyl)pyridin-4-one
CID 158442515
3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)-1-prop-2-enylpyridazin-4-one
CID 167572094
3-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]acetyl]-1-ethyl-5-(4-fluorophenyl)-6-methylpyridazin-4-one
CID 167691499
N-[5-([1,3]dioxolo[4,5-g]quinolin-8-yloxy)-2-pyridinyl]-5-(4-methylphenyl)-1-(oxan-4-yl)-4-oxopyridazine-3-carboxamide
CID 139336930

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one?
The IUPAC name of 1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one (CID 163439084) is 1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one?
The canonical SMILES for 1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one is COc1cc2nccc(Oc3cnc(CC(=O)c4nn(C5CC5)cc(-c5ccc(F)cc5)c4=O)nc3)c2cc1OC.
What is the InChIKey of 1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one?
The InChIKey is RUMUBAGNHXOASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN5O5/c1-39-26-11-21-23(12-27(26)40-2)32-10-9-25(21)41-20-14-33-28(34-15-20)13-24(37)29-30(38)22(16-36(35-29)19-7-8-19)17-3-5-18(31)6-4-17/h3-6,9-12,14-16,19H,7-8,13H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one?
1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one has a molecular weight of 553.55 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one is sourced from PubChem (CID 163439084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).