6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide

C24H30N7O4P — CID 170719727

IUPAC6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide
SMILESCCP(=O)(CC)c1cc(-c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(N)=O)c2OC)nn1C
InChIInChI=1S/C24H30N7O4P/c1-5-36(34,6-2)20-13-17(30-31(20)3)15-8-7-9-16(22(15)35-4)26-18-12-19(27-24(33)14-10-11-14)28-29-21(18)23(25)32/h7-9,12-14H,5-6,10-11H2,1-4H3,(H2,25,32)(H2,26,27,28,33)
InChIKeyYIOVMRGWNBPXEG-UHFFFAOYSA-N
MW511.52 g/mol
LogP3.10
Rot. Bonds10

About 6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide (PubChem CID 170719727) has the molecular formula C24H30N7O4P and a molecular weight of 511.52 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide
PubChem CID170719727
Molecular FormulaC24H30N7O4P
Molecular Weight511.52 g/mol
Exact Mass511.21
IUPAC Name6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide
SMILESCCP(=O)(CC)c1cc(-c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(N)=O)c2OC)nn1C
InChIInChI=1S/C24H30N7O4P/c1-5-36(34,6-2)20-13-17(30-31(20)3)15-8-7-9-16(22(15)35-4)26-18-12-19(27-24(33)14-10-11-14)28-29-21(18)23(25)32/h7-9,12-14H,5-6,10-11H2,1-4H3,(H2,25,32)(H2,26,27,28,33)
InChIKeyYIOVMRGWNBPXEG-UHFFFAOYSA-N
XLogP3.10
TPSA154.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.52
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
CID 170965480
4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide
CID 170719716
N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 166171165
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086
4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(pyrimidin-4-ylamino)pyridazine-3-carboxamide
CID 170719832
CID 174037207
CID 174037207
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide
CID 170965870
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(4-methoxyoxolan-3-yl)pyrazol-3-yl]anilino]pyridazine-3-carboxamide
CID 170965928
CID 174037209
CID 174037209
CID 174036918
CID 174036918
4-[3-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 170928308
6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropylpyrazol-4-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965465

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide (CID 170719727) is 6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide is CCP(=O)(CC)c1cc(-c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(N)=O)c2OC)nn1C.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide?
The InChIKey is YIOVMRGWNBPXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N7O4P/c1-5-36(34,6-2)20-13-17(30-31(20)3)15-8-7-9-16(22(15)35-4)26-18-12-19(27-24(33)14-10-11-14)28-29-21(18)23(25)32/h7-9,12-14H,5-6,10-11H2,1-4H3,(H2,25,32)(H2,26,27,28,33).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide has a molecular weight of 511.52 g/mol, XLogP of 3.10, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide is sourced from PubChem (CID 170719727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).