N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C135H124F21N37O8 — CID 163699135

About N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide

N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 163699135) has the molecular formula C135H124F21N37O8 and a molecular weight of 2791.69 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 163699135
• Molecular Formula: C135H124F21N37O8
• Molecular Weight: 2791.69 g/mol
• Exact Mass: 2790.01
• IUPAC Name: N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: Cc1cc(-c2ccc3c(c2)ncn3C)nn2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cnc12.Cc1cc(-c2ccc3c(c2)ncn3C)nn2c(C(=O)N[C@H](C3CC3)C(F)(F)F)cnc12.Cc1cncc(-c2cc(C)c3ncc(C(=O)N[C@@H](C4CC4)C(F)(F)F)n3n2)c1.Cc1cncc(-c2cc(C)c3ncc(C(=O)N[C@@H](C4CC4)C(F)(F)F)n3n2)c1.Cc1cncc(-c2cc(C)c3ncc(C(=O)N[C@H](C4CC4)C(F)(F)F)n3n2)c1.Cc1cncc(-c2cc(C)c3ncc(C(=O)N[C@H](C4CC4)C(F)(F)F)n3n2)c1.[C-]#[N+]c1cc(C)oc1-c1cc(C)c2ncc(C(=O)N[C@@H](C)C(F)(F)F)n2n1
• InChI: InChI=1S/2C21H19F3N6O.4C19H18F3N5O.C17H14F3N5O2/c2*1-11-7-14(13-5-6-16-15(8-13)26-10-29(16)2)28-30-17(9-25-19(11)30)20(31)27-18(12-3-4-12)21(22,23)24;4*1-10-5-13(8-23-7-10)14-6-11(2)17-24-9-15(27(17)26-14)18(28)25-16(12-3-4-12)19(20,21)22;1-8-5-12(14-11(21-4)6-9(2)27-14)24-25-13(7-22-15(8)25)16(26)23-10(3)17(18,19)20/h2*5-10,12,18H,3-4H2,1-2H3,(H,27,31);4*5-9,12,16H,3-4H2,1-2H3,(H,25,28);5-7,10H,1-3H3,(H,23,26)/t2*18-;4*16-;10-/m1011000/s1
• InChIKey: JZMCWIBYIYOHFE-XZNGWMBKSA-N
• XLogP: 25.08
• TPSA: 519.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2791.69
LogP ≤ 5	25.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 163699135) is N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc(-c2ccc3c(c2)ncn3C)nn2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cnc12.Cc1cc(-c2ccc3c(c2)ncn3C)nn2c(C(=O)N[C@H](C3CC3)C(F)(F)F)cnc12.Cc1cncc(-c2cc(C)c3ncc(C(=O)N[C@@H](C4CC4)C(F)(F)F)n3n2)c1.Cc1cncc(-c2cc(C)c3ncc(C(=O)N[C@@H](C4CC4)C(F)(F)F)n3n2)c1.Cc1cncc(-c2cc(C)c3ncc(C(=O)N[C@H](C4CC4)C(F)(F)F)n3n2)c1.Cc1cncc(-c2cc(C)c3ncc(C(=O)N[C@H](C4CC4)C(F)(F)F)n3n2)c1.[C-]#[N+]c1cc(C)oc1-c1cc(C)c2ncc(C(=O)N[C@@H](C)C(F)(F)F)n2n1.

What is the InChIKey of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is JZMCWIBYIYOHFE-XZNGWMBKSA-N. The full InChI is InChI=1S/2C21H19F3N6O.4C19H18F3N5O.C17H14F3N5O2/c2*1-11-7-14(13-5-6-16-15(8-13)26-10-29(16)2)28-30-17(9-25-19(11)30)20(31)27-18(12-3-4-12)21(22,23)24;4*1-10-5-13(8-23-7-10)14-6-11(2)17-24-9-15(27(17)26-14)18(28)25-16(12-3-4-12)19(20,21)22;1-8-5-12(14-11(21-4)6-9(2)27-14)24-25-13(7-22-15(8)25)16(26)23-10(3)17(18,19)20/h2*5-10,12,18H,3-4H2,1-2H3,(H,27,31);4*5-9,12,16H,3-4H2,1-2H3,(H,25,28);5-7,10H,1-3H3,(H,23,26)/t2*18-;4*16-;10-/m1011000/s1.

What are the key properties of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 2791.69 g/mol, XLogP of 25.08, 27 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 163699135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).