4-anilino-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide;4-(cycloheptylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;bis(4-(cyclopentylamino)-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide);N-cyclopentyl-3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;methane;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

C164H188N48O13 — CID 159227940

About 4-anilino-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide;4-(cycloheptylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;bis(4-(cyclopentylamino)-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide);N-cyclopentyl-3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;methane;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

4-anilino-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide;4-(cycloheptylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;bis(4-(cyclopentylamino)-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide);N-cyclopentyl-3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;methane;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 159227940) has the molecular formula C164H188N48O13 and a molecular weight of 3039.63 g/mol. Its IUPAC name is 4-anilino-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide;4-(cycloheptylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;bis(4-(cyclopentylamino)-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide);N-cyclopentyl-3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;methane;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-anilino-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide;4-(cycloheptylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;bis(4-(cyclopentylamino)-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide);N-cyclopentyl-3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;methane;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 159227940
• Molecular Formula: C164H188N48O13
• Molecular Weight: 3039.63 g/mol
• Exact Mass: 3037.55
• IUPAC Name: 4-anilino-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide;4-(cycloheptylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;bis(4-(cyclopentylamino)-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide);N-cyclopentyl-3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;methane;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
• SMILES: C.Cc1ccc2c(NC3CCCC3)c(C(N)=O)cnn12.Cc1ccc2c(NC3CCCC3)c(C(N)=O)cnn12.Cc1ccc2c(Nc3ccccc3)c(C(N)=O)cnn12.NC(=O)c1cnn2cccc2c1NC1CCCCCC1.NC(=O)c1cnn2cccc2c1NC1CCCOC1.NC(=O)c1cnn2cccc2c1NC1CCOC1.NC(=O)c1cnn2cccc2c1NC1CCOCC1.[C-]#[N+]c1cnn2c(C)ccc2c1NC1CCCC1.[C-]#[N+]c1cnn2c(C)ccc2c1Nc1ccccc1.[C-]#[N+]c1cnn2cccc2c1NC1CCCOC1.[C-]#[N+]c1cnn2cccc2c1NC1CCOC1.[C-]#[N+]c1cnn2cccc2c1NC1CCOCC1
• InChI: InChI=1S/C15H14N4O.C15H20N4O.C15H12N4.2C14H18N4O.C14H16N4.2C13H16N4O2.2C13H14N4O.C12H14N4O2.C12H12N4O.CH4/c1-10-7-8-13-14(18-11-5-3-2-4-6-11)12(15(16)20)9-17-19(10)13;16-15(20)12-10-17-19-9-5-8-13(19)14(12)18-11-6-3-1-2-4-7-11;1-11-8-9-14-15(13(16-2)10-17-19(11)14)18-12-6-4-3-5-7-12;2*1-9-6-7-12-13(17-10-4-2-3-5-10)11(14(15)19)8-16-18(9)12;1-10-7-8-13-14(17-11-5-3-4-6-11)12(15-2)9-16-18(10)13;14-13(18)10-7-15-17-5-1-4-11(17)12(10)16-9-3-2-6-19-8-9;14-13(18)10-8-15-17-5-1-2-11(17)12(10)16-9-3-6-19-7-4-9;1-14-11-8-15-17-6-2-5-12(17)13(11)16-10-4-3-7-18-9-10;1-14-11-9-15-17-6-2-3-12(17)13(11)16-10-4-7-18-8-5-10;13-12(17)9-6-14-16-4-1-2-10(16)11(9)15-8-3-5-18-7-8;1-13-10-7-14-16-5-2-3-11(16)12(10)15-9-4-6-17-8-9;/h2-9,18H,1H3,(H2,16,20);5,8-11,18H,1-4,6-7H2,(H2,16,20);3-10,18H,1H3;2*6-8,10,17H,2-5H2,1H3,(H2,15,19);7-9,11,17H,3-6H2,1H3;1,4-5,7,9,16H,2-3,6,8H2,(H2,14,18);1-2,5,8-9,16H,3-4,6-7H2,(H2,14,18);2,5-6,8,10,16H,3-4,7,9H2;2-3,6,9-10,16H,4-5,7-8H2;1-2,4,6,8,15H,3,5,7H2,(H2,13,17);2-3,5,7,9,15H,4,6,8H2;1H4
• InChIKey: KSNJCQPVLPOIEI-UHFFFAOYSA-N
• XLogP: 27.09
• TPSA: 730.77 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 49
• Rotatable Bonds: 31
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3039.63
LogP ≤ 5	27.09
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-anilino-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide;4-(cycloheptylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;bis(4-(cyclopentylamino)-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide);N-cyclopentyl-3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;methane;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 4-anilino-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide;4-(cycloheptylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;bis(4-(cyclopentylamino)-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide);N-cyclopentyl-3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;methane;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 159227940) is 4-anilino-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide;4-(cycloheptylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;bis(4-(cyclopentylamino)-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide);N-cyclopentyl-3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;methane;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 4-anilino-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide;4-(cycloheptylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;bis(4-(cyclopentylamino)-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide);N-cyclopentyl-3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;methane;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 4-anilino-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide;4-(cycloheptylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;bis(4-(cyclopentylamino)-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide);N-cyclopentyl-3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;methane;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is C.Cc1ccc2c(NC3CCCC3)c(C(N)=O)cnn12.Cc1ccc2c(NC3CCCC3)c(C(N)=O)cnn12.Cc1ccc2c(Nc3ccccc3)c(C(N)=O)cnn12.NC(=O)c1cnn2cccc2c1NC1CCCCCC1.NC(=O)c1cnn2cccc2c1NC1CCCOC1.NC(=O)c1cnn2cccc2c1NC1CCOC1.NC(=O)c1cnn2cccc2c1NC1CCOCC1.[C-]#[N+]c1cnn2c(C)ccc2c1NC1CCCC1.[C-]#[N+]c1cnn2c(C)ccc2c1Nc1ccccc1.[C-]#[N+]c1cnn2cccc2c1NC1CCCOC1.[C-]#[N+]c1cnn2cccc2c1NC1CCOC1.[C-]#[N+]c1cnn2cccc2c1NC1CCOCC1.

What is the InChIKey of 4-anilino-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide;4-(cycloheptylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;bis(4-(cyclopentylamino)-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide);N-cyclopentyl-3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;methane;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is KSNJCQPVLPOIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O.C15H20N4O.C15H12N4.2C14H18N4O.C14H16N4.2C13H16N4O2.2C13H14N4O.C12H14N4O2.C12H12N4O.CH4/c1-10-7-8-13-14(18-11-5-3-2-4-6-11)12(15(16)20)9-17-19(10)13;16-15(20)12-10-17-19-9-5-8-13(19)14(12)18-11-6-3-1-2-4-7-11;1-11-8-9-14-15(13(16-2)10-17-19(11)14)18-12-6-4-3-5-7-12;2*1-9-6-7-12-13(17-10-4-2-3-5-10)11(14(15)19)8-16-18(9)12;1-10-7-8-13-14(17-11-5-3-4-6-11)12(15-2)9-16-18(10)13;14-13(18)10-7-15-17-5-1-4-11(17)12(10)16-9-3-2-6-19-8-9;14-13(18)10-8-15-17-5-1-2-11(17)12(10)16-9-3-6-19-7-4-9;1-14-11-8-15-17-6-2-5-12(17)13(11)16-10-4-3-7-18-9-10;1-14-11-9-15-17-6-2-3-12(17)13(11)16-10-4-7-18-8-5-10;13-12(17)9-6-14-16-4-1-2-10(16)11(9)15-8-3-5-18-7-8;1-13-10-7-14-16-5-2-3-11(16)12(10)15-9-4-6-17-8-9;/h2-9,18H,1H3,(H2,16,20);5,8-11,18H,1-4,6-7H2,(H2,16,20);3-10,18H,1H3;2*6-8,10,17H,2-5H2,1H3,(H2,15,19);7-9,11,17H,3-6H2,1H3;1,4-5,7,9,16H,2-3,6,8H2,(H2,14,18);1-2,5,8-9,16H,3-4,6-7H2,(H2,14,18);2,5-6,8,10,16H,3-4,7,9H2;2-3,6,9-10,16H,4-5,7-8H2;1-2,4,6,8,15H,3,5,7H2,(H2,13,17);2-3,5,7,9,15H,4,6,8H2;1H4.

What are the key properties of 4-anilino-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide;4-(cycloheptylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;bis(4-(cyclopentylamino)-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide);N-cyclopentyl-3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;methane;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

4-anilino-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide;4-(cycloheptylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;bis(4-(cyclopentylamino)-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide);N-cyclopentyl-3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;methane;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 3039.63 g/mol, XLogP of 27.09, 31 rotatable bonds, 19 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 4-anilino-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide;4-(cycloheptylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;bis(4-(cyclopentylamino)-7-methylpyrrolo[1,2-b]pyridazine-3-carboxamide);N-cyclopentyl-3-isocyano-7-methylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;methane;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 159227940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).