N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide

C25H31N6O3P — CID 166171165

IUPACN-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCCP(CC)c1cc(-c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(C)=O)c2OC)nn1C
InChIInChI=1S/C25H31N6O3P/c1-6-35(7-2)22-14-19(30-31(22)4)17-9-8-10-18(24(17)34-5)26-20-13-21(27-25(33)16-11-12-16)28-29-23(20)15(3)32/h8-10,13-14,16H,6-7,11-12H2,1-5H3,(H2,26,27,28,33)
InChIKeyKRKFBBOKNNQEOJ-UHFFFAOYSA-N
MW494.54 g/mol
LogP4.33
Rot. Bonds10

About N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide

N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 166171165) has the molecular formula C25H31N6O3P and a molecular weight of 494.54 g/mol. Its IUPAC name is N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID166171165
Molecular FormulaC25H31N6O3P
Molecular Weight494.54 g/mol
Exact Mass494.22
IUPAC NameN-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCCP(CC)c1cc(-c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(C)=O)c2OC)nn1C
InChIInChI=1S/C25H31N6O3P/c1-6-35(7-2)22-14-19(30-31(22)4)17-9-8-10-18(24(17)34-5)26-20-13-21(27-25(33)16-11-12-16)28-29-23(20)15(3)32/h8-10,13-14,16H,6-7,11-12H2,1-5H3,(H2,26,27,28,33)
InChIKeyKRKFBBOKNNQEOJ-UHFFFAOYSA-N
XLogP4.33
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170719727
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
CID 170965480
1-[6-amino-4-[3-(5-dimethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]ethanone;ethane
CID 166171098
CID 174037207
CID 174037207
6-(cyclopropanecarbonylamino)-4-[3-(5-dicyclopropylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridine-3-carboxamide
CID 170719755
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086
CID 174037209
CID 174037209
CID 174036918
CID 174036918
6-(cyclopropanecarbonylamino)-4-[3-[2-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584963
CID 174037040
CID 174037040
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[2-(trideuteriomethyl)triazol-4-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822315
6-(cyclopropanecarbonylamino)-4-[3-[2-[2-(methanesulfonamido)ethyl]triazol-4-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584870

Frequently Asked Questions

What is the IUPAC name of N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide (CID 166171165) is N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide is CCP(CC)c1cc(-c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(C)=O)c2OC)nn1C.
What is the InChIKey of N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is KRKFBBOKNNQEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N6O3P/c1-6-35(7-2)22-14-19(30-31(22)4)17-9-8-10-18(24(17)34-5)26-20-13-21(27-25(33)16-11-12-16)28-29-23(20)15(3)32/h8-10,13-14,16H,6-7,11-12H2,1-5H3,(H2,26,27,28,33).
What are the key properties of N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 494.54 g/mol, XLogP of 4.33, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166171165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).