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;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol

C148H177N29O6 — CID 158324689

About 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;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol

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;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol (PubChem CID 158324689) has the molecular formula C148H177N29O6 and a molecular weight of 2458.24 g/mol. Its IUPAC name is 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;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol.

Molecular Properties

• Compound Name: 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;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
• PubChem CID: 158324689
• Molecular Formula: C148H177N29O6
• Molecular Weight: 2458.24 g/mol
• Exact Mass: 2456.44
• IUPAC Name: 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;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
• SMILES: Cc1cccc(-c2cnc3ccc(NCC4CCC(C(C)(C)O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(N[C@@H]4CC[C@@H](C(C)(C)O)C4)nn23)c1.Cc1cccc(-c2cnc3ccc(OC4CCC(C(C)(C)O)CC4)nn23)c1.Cc1cccc(-c2cnn3ccc(NC4CCC(C(C)(C)O)CC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NC4CCC(O)CC4)nc23)c1.[C-]#[N+]C1CCC(CNc2ccc3ncc(-c4cccc(C)c4)n3n2)CC1.[C-]#[N+]C1CCC(Nc2ccc3ncc(-c4cccc(C)c4)n3n2)CC1
• InChI: InChI=1S/C23H30N4O.C22H28N4O.C22H27N3O2.C21H23N5.C21H26N4O.C20H21N5.C19H22N4O/c1-16-5-4-6-18(13-16)20-15-25-22-12-11-21(26-27(20)22)24-14-17-7-9-19(10-8-17)23(2,3)28;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;1-15-5-4-6-16(13-15)19-14-23-20-11-12-21(24-25(19)20)27-18-9-7-17(8-10-18)22(2,3)26;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;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/h4-6,11-13,15,17,19,28H,7-10,14H2,1-3H3,(H,24,26);4-6,11-14,17-18,27H,7-10H2,1-3H3,(H,24,25);4-6,11-14,17-18,26H,7-10H2,1-3H3;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);2-4,9-12,15-16,24H,5-8H2,1H3,(H,21,22)/t;;;;16-,17-;;/m....1../s1
• InChIKey: GPGNHLOJOUIJSN-ZBFATXRLSA-N
• XLogP: 29.97
• TPSA: 402.61 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2458.24
LogP ≤ 5	29.97
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol?

The IUPAC name of 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;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol (CID 158324689) is 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;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol.

What is the SMILES notation for 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;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol?

The canonical SMILES for 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;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol is Cc1cccc(-c2cnc3ccc(NCC4CCC(C(C)(C)O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(N[C@@H]4CC[C@@H](C(C)(C)O)C4)nn23)c1.Cc1cccc(-c2cnc3ccc(OC4CCC(C(C)(C)O)CC4)nn23)c1.Cc1cccc(-c2cnn3ccc(NC4CCC(C(C)(C)O)CC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NC4CCC(O)CC4)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 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;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol?

The InChIKey is GPGNHLOJOUIJSN-ZBFATXRLSA-N. The full InChI is InChI=1S/C23H30N4O.C22H28N4O.C22H27N3O2.C21H23N5.C21H26N4O.C20H21N5.C19H22N4O/c1-16-5-4-6-18(13-16)20-15-25-22-12-11-21(26-27(20)22)24-14-17-7-9-19(10-8-17)23(2,3)28;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;1-15-5-4-6-16(13-15)19-14-23-20-11-12-21(24-25(19)20)27-18-9-7-17(8-10-18)22(2,3)26;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;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/h4-6,11-13,15,17,19,28H,7-10,14H2,1-3H3,(H,24,26);4-6,11-14,17-18,27H,7-10H2,1-3H3,(H,24,25);4-6,11-14,17-18,26H,7-10H2,1-3H3;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);2-4,9-12,15-16,24H,5-8H2,1H3,(H,21,22)/t;;;;16-,17-;;/m....1../s1.

What are the key properties of 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;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol?

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;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol has a molecular weight of 2458.24 g/mol, XLogP of 29.97, 27 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 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;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol is sourced from PubChem (CID 158324689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).