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

C59H49F2N11O11 — CID 163835225

IUPAC1-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
SMILESCOc1cc2nccc(Oc3cnc(CC(=O)c4cn(C5CC5)nc(-c5ccc(F)cc5)c4=O)nc3)c2cc1OC.COc1cc2nccc(Oc3ncc(N)cn3)c2cc1OC.O=C(O)c1cn(C2CC2)nc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H24FN5O5.C15H14N4O3.C14H11FN2O3/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)22-16-36(19-7-8-19)35-29(30(22)38)17-3-5-18(31)6-4-17;1-20-13-5-10-11(6-14(13)21-2)17-4-3-12(10)22-15-18-7-9(16)8-19-15;15-9-3-1-8(2-4-9)12-13(18)11(14(19)20)7-17(16-12)10-5-6-10/h3-6,9-12,14-16,19H,7-8,13H2,1-2H3;3-8H,16H2,1-2H3;1-4,7,10H,5-6H2,(H,19,20)
InChIKeyOHDWKLWAVQADHF-UHFFFAOYSA-N
MW1126.10 g/mol
LogP9.46
Rot. Bonds16

About 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

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 (PubChem CID 163835225) has the molecular formula C59H49F2N11O11 and a molecular weight of 1126.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID163835225
Molecular FormulaC59H49F2N11O11
Molecular Weight1126.10 g/mol
Exact Mass1125.36
IUPAC Name1-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
SMILESCOc1cc2nccc(Oc3cnc(CC(=O)c4cn(C5CC5)nc(-c5ccc(F)cc5)c4=O)nc3)c2cc1OC.COc1cc2nccc(Oc3ncc(N)cn3)c2cc1OC.O=C(O)c1cn(C2CC2)nc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H24FN5O5.C15H14N4O3.C14H11FN2O3/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)22-16-36(19-7-8-19)35-29(30(22)38)17-3-5-18(31)6-4-17;1-20-13-5-10-11(6-14(13)21-2)17-4-3-12(10)22-15-18-7-9(16)8-19-15;15-9-3-1-8(2-4-9)12-13(18)11(14(19)20)7-17(16-12)10-5-6-10/h3-6,9-12,14-16,19H,7-8,13H2,1-2H3;3-8H,16H2,1-2H3;1-4,7,10H,5-6H2,(H,19,20)
InChIKeyOHDWKLWAVQADHF-UHFFFAOYSA-N
XLogP9.46
TPSA282.89 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001126.10
LogP ≤ 59.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Related Compounds

1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one
CID 163439084
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
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
6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid
CID 166995425
3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one
CID 159384472
1-cyclopropyl-3-[2-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-3-pyridinyl]acetyl]-5-(4-fluorophenyl)pyridin-4-one
CID 167669509
5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one
CID 157070197
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
N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide
CID 146418867
3-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]acetyl]-1-ethyl-5-(4-fluorophenyl)-6-methylpyridazin-4-one
CID 167691499

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2nccc(Oc3cnc(CC(=O)c4cn(C5CC5)nc(-c5ccc(F)cc5)c4=O)nc3)c2cc1OC.COc1cc2nccc(Oc3ncc(N)cn3)c2cc1OC.O=C(O)c1cn(C2CC2)nc(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 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?
The InChIKey is OHDWKLWAVQADHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN5O5.C15H14N4O3.C14H11FN2O3/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)22-16-36(19-7-8-19)35-29(30(22)38)17-3-5-18(31)6-4-17;1-20-13-5-10-11(6-14(13)21-2)17-4-3-12(10)22-15-18-7-9(16)8-19-15;15-9-3-1-8(2-4-9)12-13(18)11(14(19)20)7-17(16-12)10-5-6-10/h3-6,9-12,14-16,19H,7-8,13H2,1-2H3;3-8H,16H2,1-2H3;1-4,7,10H,5-6H2,(H,19,20).
What are the key properties of 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?
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 has a molecular weight of 1126.10 g/mol, XLogP of 9.46, 16 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163835225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).