N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide

C26H29FN6O5S — CID 169147510

About N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide

N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide (PubChem CID 169147510) has the molecular formula C26H29FN6O5S and a molecular weight of 556.62 g/mol. Its IUPAC name is N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
• PubChem CID: 169147510
• Molecular Formula: C26H29FN6O5S
• Molecular Weight: 556.62 g/mol
• Exact Mass: 556.19
• IUPAC Name: N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
• SMILES: CC(C)CN(C)S(=O)(=O)C1(COc2nncc3cc(C(=O)NCc4ccc(C#N)c(F)c4)c(=O)n(C)c23)CC1
• InChI: InChI=1S/C26H29FN6O5S/c1-16(2)14-32(3)39(36,37)26(7-8-26)15-38-24-22-19(13-30-31-24)10-20(25(35)33(22)4)23(34)29-12-17-5-6-18(11-28)21(27)9-17/h5-6,9-10,13,16H,7-8,12,14-15H2,1-4H3,(H,29,34)
• InChIKey: CFOAXFRUUAJSQU-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 147.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.62
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?

The IUPAC name of N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide (CID 169147510) is N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide.

What is the SMILES notation for N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?

The canonical SMILES for N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide is CC(C)CN(C)S(=O)(=O)C1(COc2nncc3cc(C(=O)NCc4ccc(C#N)c(F)c4)c(=O)n(C)c23)CC1.

What is the InChIKey of N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?

The InChIKey is CFOAXFRUUAJSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O5S/c1-16(2)14-32(3)39(36,37)26(7-8-26)15-38-24-22-19(13-30-31-24)10-20(25(35)33(22)4)23(34)29-12-17-5-6-18(11-28)21(27)9-17/h5-6,9-10,13,16H,7-8,12,14-15H2,1-4H3,(H,29,34).

What are the key properties of N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?

N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide has a molecular weight of 556.62 g/mol, XLogP of 2.10, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide is sourced from PubChem (CID 169147510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).