N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide

C24H21N7O5S2 — CID 169147430

About N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide

N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide (PubChem CID 169147430) has the molecular formula C24H21N7O5S2 and a molecular weight of 551.61 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide
• PubChem CID: 169147430
• Molecular Formula: C24H21N7O5S2
• Molecular Weight: 551.61 g/mol
• Exact Mass: 551.10
• IUPAC Name: N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide
• SMILES: Cn1c(=O)c(C(=O)NCc2ccc(C#N)cc2)cc2cnnc(OCC3(S(=O)(=O)Nc4nccs4)CC3)c21
• InChI: InChI=1S/C24H21N7O5S2/c1-31-19-17(10-18(22(31)33)20(32)27-12-16-4-2-15(11-25)3-5-16)13-28-29-21(19)36-14-24(6-7-24)38(34,35)30-23-26-8-9-37-23/h2-5,8-10,13H,6-7,12,14H2,1H3,(H,26,30)(H,27,32)
• InChIKey: MSFGPVLCAGSHMD-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 168.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.61
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide?

The IUPAC name of N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide (CID 169147430) is N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide.

What is the SMILES notation for N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide?

The canonical SMILES for N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide is Cn1c(=O)c(C(=O)NCc2ccc(C#N)cc2)cc2cnnc(OCC3(S(=O)(=O)Nc4nccs4)CC3)c21.

What is the InChIKey of N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide?

The InChIKey is MSFGPVLCAGSHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O5S2/c1-31-19-17(10-18(22(31)33)20(32)27-12-16-4-2-15(11-25)3-5-16)13-28-29-21(19)36-14-24(6-7-24)38(34,35)30-23-26-8-9-37-23/h2-5,8-10,13H,6-7,12,14H2,1H3,(H,26,30)(H,27,32).

What are the key properties of N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide?

N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide has a molecular weight of 551.61 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide is sourced from PubChem (CID 169147430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).