N-[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-cyclopentyl-3-[4-(3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-yl)pyrazol-1-yl]propanenitrile;N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-isocyano-4-[1-(1-methoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazine;3-isocyano-7-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine;N-[6-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-3-yl]formamide

C95H96N32O5 — CID 158338685

About N-[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-cyclopentyl-3-[4-(3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-yl)pyrazol-1-yl]propanenitrile;N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-isocyano-4-[1-(1-methoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazine;3-isocyano-7-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine;N-[6-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-3-yl]formamide

N-[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-cyclopentyl-3-[4-(3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-yl)pyrazol-1-yl]propanenitrile;N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-isocyano-4-[1-(1-methoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazine;3-isocyano-7-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine;N-[6-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-3-yl]formamide (PubChem CID 158338685) has the molecular formula C95H96N32O5 and a molecular weight of 1766.03 g/mol. Its IUPAC name is N-[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-cyclopentyl-3-[4-(3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-yl)pyrazol-1-yl]propanenitrile;N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-isocyano-4-[1-(1-methoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazine;3-isocyano-7-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine;N-[6-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-3-yl]formamide.

Molecular Properties

• Compound Name: N-[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-cyclopentyl-3-[4-(3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-yl)pyrazol-1-yl]propanenitrile;N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-isocyano-4-[1-(1-methoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazine;3-isocyano-7-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine;N-[6-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-3-yl]formamide
• PubChem CID: 158338685
• Molecular Formula: C95H96N32O5
• Molecular Weight: 1766.03 g/mol
• Exact Mass: 1764.82
• IUPAC Name: N-[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-cyclopentyl-3-[4-(3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-yl)pyrazol-1-yl]propanenitrile;N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-isocyano-4-[1-(1-methoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazine;3-isocyano-7-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine;N-[6-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-3-yl]formamide
• SMILES: CCOC(C)n1cc(-c2c(NC=O)cnn3cc(C)cc23)cn1.Cc1cc2c(-c3cn[nH]c3)c(NC=O)cnn2c1.Cc1cc2c(-c3cnn(C(CC#N)C4CCCC4)c3)c(NC=O)cnn2c1.[C-]#[N+]c1cnn2c(C)ccc2c1-c1cn[nH]c1.[C-]#[N+]c1cnn2c(C)ccc2c1-c1cnn(C(C)OC)c1.[C-]#[N+]c1cnn2c(C)ccc2c1-c1cnn(C(CC#N)C2CCCC2)c1
• InChI: InChI=1S/C20H22N6O.C20H20N6.C16H19N5O2.C15H15N5O.C12H11N5O.C12H9N5/c1-14-8-19-20(17(22-13-27)10-24-25(19)11-14)16-9-23-26(12-16)18(6-7-21)15-4-2-3-5-15;1-14-7-8-19-20(17(22-2)12-24-26(14)19)16-11-23-25(13-16)18(9-10-21)15-5-3-4-6-15;1-4-23-12(3)20-9-13(6-18-20)16-14(17-10-22)7-19-21-8-11(2)5-15(16)21;1-10-5-6-14-15(13(16-3)8-18-20(10)14)12-7-17-19(9-12)11(2)21-4;1-8-2-11-12(9-3-14-15-4-9)10(13-7-18)5-16-17(11)6-8;1-8-3-4-11-12(9-5-14-15-6-9)10(13-2)7-16-17(8)11/h8-13,15,18H,2-6H2,1H3,(H,22,27);7-8,11-13,15,18H,3-6,9H2,1H3;5-10,12H,4H2,1-3H3,(H,17,22);5-9,11H,1-2,4H3;2-7H,1H3,(H,13,18)(H,14,15);3-7H,1H3,(H,14,15)
• InChIKey: GQWZXMNDJGUBLK-UHFFFAOYSA-N
• XLogP: 18.46
• TPSA: 398.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.03
LogP ≤ 5	18.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-cyclopentyl-3-[4-(3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-yl)pyrazol-1-yl]propanenitrile;N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-isocyano-4-[1-(1-methoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazine;3-isocyano-7-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine;N-[6-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-3-yl]formamide?

The IUPAC name of N-[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-cyclopentyl-3-[4-(3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-yl)pyrazol-1-yl]propanenitrile;N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-isocyano-4-[1-(1-methoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazine;3-isocyano-7-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine;N-[6-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-3-yl]formamide (CID 158338685) is N-[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-cyclopentyl-3-[4-(3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-yl)pyrazol-1-yl]propanenitrile;N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-isocyano-4-[1-(1-methoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazine;3-isocyano-7-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine;N-[6-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-3-yl]formamide.

What is the SMILES notation for N-[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-cyclopentyl-3-[4-(3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-yl)pyrazol-1-yl]propanenitrile;N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-isocyano-4-[1-(1-methoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazine;3-isocyano-7-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine;N-[6-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-3-yl]formamide?

The canonical SMILES for N-[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-cyclopentyl-3-[4-(3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-yl)pyrazol-1-yl]propanenitrile;N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-isocyano-4-[1-(1-methoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazine;3-isocyano-7-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine;N-[6-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-3-yl]formamide is CCOC(C)n1cc(-c2c(NC=O)cnn3cc(C)cc23)cn1.Cc1cc2c(-c3cn[nH]c3)c(NC=O)cnn2c1.Cc1cc2c(-c3cnn(C(CC#N)C4CCCC4)c3)c(NC=O)cnn2c1.[C-]#[N+]c1cnn2c(C)ccc2c1-c1cn[nH]c1.[C-]#[N+]c1cnn2c(C)ccc2c1-c1cnn(C(C)OC)c1.[C-]#[N+]c1cnn2c(C)ccc2c1-c1cnn(C(CC#N)C2CCCC2)c1.

What is the InChIKey of N-[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-cyclopentyl-3-[4-(3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-yl)pyrazol-1-yl]propanenitrile;N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-isocyano-4-[1-(1-methoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazine;3-isocyano-7-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine;N-[6-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-3-yl]formamide?

The InChIKey is GQWZXMNDJGUBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O.C20H20N6.C16H19N5O2.C15H15N5O.C12H11N5O.C12H9N5/c1-14-8-19-20(17(22-13-27)10-24-25(19)11-14)16-9-23-26(12-16)18(6-7-21)15-4-2-3-5-15;1-14-7-8-19-20(17(22-2)12-24-26(14)19)16-11-23-25(13-16)18(9-10-21)15-5-3-4-6-15;1-4-23-12(3)20-9-13(6-18-20)16-14(17-10-22)7-19-21-8-11(2)5-15(16)21;1-10-5-6-14-15(13(16-3)8-18-20(10)14)12-7-17-19(9-12)11(2)21-4;1-8-2-11-12(9-3-14-15-4-9)10(13-7-18)5-16-17(11)6-8;1-8-3-4-11-12(9-5-14-15-6-9)10(13-2)7-16-17(8)11/h8-13,15,18H,2-6H2,1H3,(H,22,27);7-8,11-13,15,18H,3-6,9H2,1H3;5-10,12H,4H2,1-3H3,(H,17,22);5-9,11H,1-2,4H3;2-7H,1H3,(H,13,18)(H,14,15);3-7H,1H3,(H,14,15).

What are the key properties of N-[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-cyclopentyl-3-[4-(3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-yl)pyrazol-1-yl]propanenitrile;N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-isocyano-4-[1-(1-methoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazine;3-isocyano-7-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine;N-[6-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-3-yl]formamide?

N-[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-cyclopentyl-3-[4-(3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-yl)pyrazol-1-yl]propanenitrile;N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-isocyano-4-[1-(1-methoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazine;3-isocyano-7-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine;N-[6-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-3-yl]formamide has a molecular weight of 1766.03 g/mol, XLogP of 18.46, 23 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-cyclopentyl-3-[4-(3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-yl)pyrazol-1-yl]propanenitrile;N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide;3-isocyano-4-[1-(1-methoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazine;3-isocyano-7-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine;N-[6-methyl-4-(1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-3-yl]formamide is sourced from PubChem (CID 158338685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).