bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-3a,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-imine);N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis(4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis([4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]methanol);bis(2-[4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol);2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine

C280H341N58O14S2+11 — CID 159126398

About bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-3a,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-imine);N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis(4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis([4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]methanol);bis(2-[4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol);2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine

bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-3a,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-imine);N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis(4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis([4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]methanol);bis(2-[4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol);2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine (PubChem CID 159126398) has the molecular formula C280H341N58O14S2+11 and a molecular weight of 4807.33 g/mol. Its IUPAC name is bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-3a,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-imine);N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis(4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis([4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]methanol);bis(2-[4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol);2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine.

Molecular Properties

• Compound Name: bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-3a,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-imine);N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis(4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis([4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]methanol);bis(2-[4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol);2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine
• PubChem CID: 159126398
• Molecular Formula: C280H341N58O14S2+11
• Molecular Weight: 4807.33 g/mol
• Exact Mass: 4803.71
• IUPAC Name: bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-3a,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-imine);N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis(4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis([4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]methanol);bis(2-[4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol);2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine
• SMILES: Cc1cccc(-c2cnc3ccc(N[C@@H]4CC[C@@H](C(C)(C)O)C4)nn23)c1.Cc1cccc(C2=CN=[N+]3C=C/C(=N\CC4CCS(=O)(=O)CC4)NC23)c1.Cc1cccc(C2=CN=[N+]3C=C/C(=N\CC4CCS(=O)(=O)CC4)NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(C(C)(C)O)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(C(C)(C)O)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(C)(O)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(C)(O)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(CO)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(CO)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(O)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(O)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCOCC4)=NC23)c1.[C-]#[N+]C1CCC(CNc2ccc3ncc(-c4cccc(C)c4)n3n2)CC1.[C-]#[N+]C1CCC(Nc2ccc3ncc(-c4cccc(C)c4)n3n2)CC1
• InChI: InChI=1S/2C22H29N4O.C21H23N5.C21H26N4O.C20H21N5.4C20H25N4O.2C19H23N4O2S.2C19H23N4O.C18H21N4O/c2*1-15-5-4-6-16(13-15)19-14-23-26-12-11-20(25-21(19)26)24-18-9-7-17(8-10-18)22(2,3)27;1-15-4-3-5-17(12-15)19-14-24-21-11-10-20(25-26(19)21)23-13-16-6-8-18(22-2)9-7-16;1-14-5-4-6-15(11-14)18-13-22-20-10-9-19(24-25(18)20)23-17-8-7-16(12-17)21(2,3)26;1-14-4-3-5-15(12-14)18-13-22-20-11-10-19(24-25(18)20)23-17-8-6-16(21-2)7-9-17;2*1-14-4-3-5-15(12-14)17-13-21-24-11-8-18(23-19(17)24)22-16-6-9-20(2,25)10-7-16;2*1-14-3-2-4-16(11-14)18-12-21-24-10-9-19(23-20(18)24)22-17-7-5-15(13-25)6-8-17;2*1-14-3-2-4-16(11-14)17-13-21-23-8-5-18(22-19(17)23)20-12-15-6-9-26(24,25)10-7-15;2*1-13-3-2-4-14(11-13)17-12-20-23-10-9-18(22-19(17)23)21-15-5-7-16(24)8-6-15;1-13-3-2-4-14(11-13)16-12-19-22-8-5-17(21-18(16)22)20-15-6-9-23-10-7-15/h2*4-6,11-14,17-18,21,27H,7-10H2,1-3H3,(H,24,25);3-5,10-12,14,16,18H,6-9,13H2,1H3,(H,23,25);4-6,9-11,13,16-17,26H,7-8,12H2,1-3H3,(H,23,24);3-5,10-13,16-17H,6-9H2,1H3,(H,23,24);2*3-5,8,11-13,16,19,25H,6-7,9-10H2,1-2H3,(H,22,23);2*2-4,9-12,15,17,20,25H,5-8,13H2,1H3,(H,22,23);2*2-5,8,11,13,15,19H,6-7,9-10,12H2,1H3,(H,20,22);2*2-4,9-12,15-16,19,24H,5-8H2,1H3,(H,21,22);2-5,8,11-12,15,18H,6-7,9-10H2,1H3,(H,20,21)/q2*+1;;;;9*+1/t;;;16-,17-;;;;;;;;;;/m...1........../s1
• InChIKey: AWGUPDIGPDQXKF-HNYSEEQTSA-N
• XLogP: 47.80
• TPSA: 832.32 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 57
• Rotatable Bonds: 39
• Heavy Atoms: 354
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4807.33
LogP ≤ 5	47.80
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-3a,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-imine);N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis(4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis([4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]methanol);bis(2-[4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol);2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine?

The IUPAC name of bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-3a,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-imine);N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis(4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis([4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]methanol);bis(2-[4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol);2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine (CID 159126398) is bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-3a,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-imine);N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis(4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis([4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]methanol);bis(2-[4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol);2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine.

What is the SMILES notation for bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-3a,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-imine);N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis(4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis([4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]methanol);bis(2-[4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol);2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine?

The canonical SMILES for bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-3a,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-imine);N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis(4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis([4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]methanol);bis(2-[4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol);2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine is Cc1cccc(-c2cnc3ccc(N[C@@H]4CC[C@@H](C(C)(C)O)C4)nn23)c1.Cc1cccc(C2=CN=[N+]3C=C/C(=N\CC4CCS(=O)(=O)CC4)NC23)c1.Cc1cccc(C2=CN=[N+]3C=C/C(=N\CC4CCS(=O)(=O)CC4)NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(C(C)(C)O)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(C(C)(C)O)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(C)(O)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(C)(O)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(CO)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(CO)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(O)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCC(O)CC4)=NC23)c1.Cc1cccc(C2=CN=[N+]3C=CC(NC4CCOCC4)=NC23)c1.[C-]#[N+]C1CCC(CNc2ccc3ncc(-c4cccc(C)c4)n3n2)CC1.[C-]#[N+]C1CCC(Nc2ccc3ncc(-c4cccc(C)c4)n3n2)CC1.

What is the InChIKey of bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-3a,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-imine);N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis(4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis([4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]methanol);bis(2-[4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol);2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine?

The InChIKey is AWGUPDIGPDQXKF-HNYSEEQTSA-N. The full InChI is InChI=1S/2C22H29N4O.C21H23N5.C21H26N4O.C20H21N5.4C20H25N4O.2C19H23N4O2S.2C19H23N4O.C18H21N4O/c2*1-15-5-4-6-16(13-15)19-14-23-26-12-11-20(25-21(19)26)24-18-9-7-17(8-10-18)22(2,3)27;1-15-4-3-5-17(12-15)19-14-24-21-11-10-20(25-26(19)21)23-13-16-6-8-18(22-2)9-7-16;1-14-5-4-6-15(11-14)18-13-22-20-10-9-19(24-25(18)20)23-17-8-7-16(12-17)21(2,3)26;1-14-4-3-5-15(12-14)18-13-22-20-11-10-19(24-25(18)20)23-17-8-6-16(21-2)7-9-17;2*1-14-4-3-5-15(12-14)17-13-21-24-11-8-18(23-19(17)24)22-16-6-9-20(2,25)10-7-16;2*1-14-3-2-4-16(11-14)18-12-21-24-10-9-19(23-20(18)24)22-17-7-5-15(13-25)6-8-17;2*1-14-3-2-4-16(11-14)17-13-21-23-8-5-18(22-19(17)23)20-12-15-6-9-26(24,25)10-7-15;2*1-13-3-2-4-14(11-13)17-12-20-23-10-9-18(22-19(17)23)21-15-5-7-16(24)8-6-15;1-13-3-2-4-14(11-13)16-12-19-22-8-5-17(21-18(16)22)20-15-6-9-23-10-7-15/h2*4-6,11-14,17-18,21,27H,7-10H2,1-3H3,(H,24,25);3-5,10-12,14,16,18H,6-9,13H2,1H3,(H,23,25);4-6,9-11,13,16-17,26H,7-8,12H2,1-3H3,(H,23,24);3-5,10-13,16-17H,6-9H2,1H3,(H,23,24);2*3-5,8,11-13,16,19,25H,6-7,9-10H2,1-2H3,(H,22,23);2*2-4,9-12,15,17,20,25H,5-8,13H2,1H3,(H,22,23);2*2-5,8,11,13,15,19H,6-7,9-10,12H2,1H3,(H,20,22);2*2-4,9-12,15-16,19,24H,5-8H2,1H3,(H,21,22);2-5,8,11-12,15,18H,6-7,9-10H2,1H3,(H,20,21)/q2*+1;;;;9*+1/t;;;16-,17-;;;;;;;;;;/m...1........../s1.

What are the key properties of bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-3a,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-imine);N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis(4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis([4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]methanol);bis(2-[4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol);2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine?

bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-3a,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-imine);N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis(4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis([4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]methanol);bis(2-[4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol);2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine has a molecular weight of 4807.33 g/mol, XLogP of 47.80, 39 rotatable bonds, 23 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-3a,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-imine);N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis(4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexan-1-ol);bis([4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]methanol);bis(2-[4-[[3-(3-methylphenyl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol);2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine is sourced from PubChem (CID 159126398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).