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

C24H29N8O4P — CID 170719716

IUPAC4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide
SMILESCNC(=O)Nc1cc(Nc2cccc(-c3cc(P(=O)(C4CC4)C4CC4)n(C)n3)c2OC)c(C(N)=O)nn1
InChIInChI=1S/C24H29N8O4P/c1-26-24(34)28-19-11-18(21(23(25)33)30-29-19)27-16-6-4-5-15(22(16)36-3)17-12-20(32(2)31-17)37(35,13-7-8-13)14-9-10-14/h4-6,11-14H,7-10H2,1-3H3,(H2,25,33)(H3,26,27,28,29,34)
InChIKeyHVEMHOYWYOFBAY-UHFFFAOYSA-N
MW524.52 g/mol
LogP2.79
Rot. Bonds9

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

4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide (PubChem CID 170719716) has the molecular formula C24H29N8O4P and a molecular weight of 524.52 g/mol. Its IUPAC name is 4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide
PubChem CID170719716
Molecular FormulaC24H29N8O4P
Molecular Weight524.52 g/mol
Exact Mass524.20
IUPAC Name4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide
SMILESCNC(=O)Nc1cc(Nc2cccc(-c3cc(P(=O)(C4CC4)C4CC4)n(C)n3)c2OC)c(C(N)=O)nn1
InChIInChI=1S/C24H29N8O4P/c1-26-24(34)28-19-11-18(21(23(25)33)30-29-19)27-16-6-4-5-15(22(16)36-3)17-12-20(32(2)31-17)37(35,13-7-8-13)14-9-10-14/h4-6,11-14H,7-10H2,1-3H3,(H2,25,33)(H3,26,27,28,29,34)
InChIKeyHVEMHOYWYOFBAY-UHFFFAOYSA-N
XLogP2.79
TPSA166.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.52
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(pyrimidin-4-ylamino)pyridazine-3-carboxamide
CID 170719832
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
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086
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-[(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 174037207
CID 174037207
6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropylpyrazol-4-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965465
CID 174036918
CID 174036918
CID 174037209
CID 174037209
4-[3-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 170928308

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide?
The IUPAC name of 4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide (CID 170719716) is 4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide?
The canonical SMILES for 4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide is CNC(=O)Nc1cc(Nc2cccc(-c3cc(P(=O)(C4CC4)C4CC4)n(C)n3)c2OC)c(C(N)=O)nn1.
What is the InChIKey of 4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide?
The InChIKey is HVEMHOYWYOFBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N8O4P/c1-26-24(34)28-19-11-18(21(23(25)33)30-29-19)27-16-6-4-5-15(22(16)36-3)17-12-20(32(2)31-17)37(35,13-7-8-13)14-9-10-14/h4-6,11-14H,7-10H2,1-3H3,(H2,25,33)(H3,26,27,28,29,34).
What are the key properties of 4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide?
4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide has a molecular weight of 524.52 g/mol, XLogP of 2.79, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 170719716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).