1-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3R)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3S)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;3-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]propan-1-ol;(2S)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;4-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile

C119H103Cl6F6N29O8 — CID 167668049

About 1-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3R)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3S)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;3-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]propan-1-ol;(2S)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;4-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile

1-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3R)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3S)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;3-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]propan-1-ol;(2S)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;4-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile (PubChem CID 167668049) has the molecular formula C119H103Cl6F6N29O8 and a molecular weight of 2394.03 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3R)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3S)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;3-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]propan-1-ol;(2S)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;4-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3R)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3S)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;3-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]propan-1-ol;(2S)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;4-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile
• PubChem CID: 167668049
• Molecular Formula: C119H103Cl6F6N29O8
• Molecular Weight: 2394.03 g/mol
• Exact Mass: 2389.66
• IUPAC Name: 1-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3R)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3S)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;3-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]propan-1-ol;(2S)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;4-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile
• SMILES: Clc1ccc(-c2nnc(NC[C@H]3COCCO3)c3cnccc23)cc1.Clc1ccc(-c2nnc(N[C@@H]3CCOC3)c3cnccc23)cc1.Clc1ccc(-c2nnc(N[C@H]3CCOC3)c3cnccc23)cc1.N#Cc1ccc(-c2nnc(NC[C@H]3CCCO3)c3cnccc23)cc1.OCCCNc1nnc(-c2ccc(Cl)cc2)c2ccncc12.OC[C@@H](Nc1nnc(-c2ccc(Cl)cc2)c2ccncc12)C(F)(F)F.OC[C@H](Nc1nnc(-c2ccc(Cl)cc2)c2ccncc12)C(F)(F)F
• InChI: InChI=1S/C19H17N5O.C18H17ClN4O2.2C17H15ClN4O.2C16H12ClF3N4O.C16H15ClN4O/c20-10-13-3-5-14(6-4-13)18-16-7-8-21-12-17(16)19(24-23-18)22-11-15-2-1-9-25-15;19-13-3-1-12(2-4-13)17-15-5-6-20-10-16(15)18(23-22-17)21-9-14-11-24-7-8-25-14;2*18-12-3-1-11(2-4-12)16-14-5-7-19-9-15(14)17(22-21-16)20-13-6-8-23-10-13;2*17-10-3-1-9(2-4-10)14-11-5-6-21-7-12(11)15(24-23-14)22-13(8-25)16(18,19)20;17-12-4-2-11(3-5-12)15-13-6-8-18-10-14(13)16(21-20-15)19-7-1-9-22/h3-8,12,15H,1-2,9,11H2,(H,22,24);1-6,10,14H,7-9,11H2,(H,21,23);2*1-5,7,9,13H,6,8,10H2,(H,20,22);2*1-7,13,25H,8H2,(H,22,24);2-6,8,10,22H,1,7,9H2,(H,19,21)/t15-;14-;4*13-;/m101010./s1
• InChIKey: SXPOEUVQMUEXFA-OYAIKQPOSA-N
• XLogP: 23.92
• TPSA: 485.53 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2394.03
LogP ≤ 5	23.92
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3R)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3S)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;3-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]propan-1-ol;(2S)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;4-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile?

The IUPAC name of 1-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3R)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3S)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;3-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]propan-1-ol;(2S)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;4-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile (CID 167668049) is 1-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3R)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3S)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;3-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]propan-1-ol;(2S)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;4-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3R)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3S)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;3-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]propan-1-ol;(2S)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;4-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile?

The canonical SMILES for 1-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3R)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3S)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;3-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]propan-1-ol;(2S)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;4-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile is Clc1ccc(-c2nnc(NC[C@H]3COCCO3)c3cnccc23)cc1.Clc1ccc(-c2nnc(N[C@@H]3CCOC3)c3cnccc23)cc1.Clc1ccc(-c2nnc(N[C@H]3CCOC3)c3cnccc23)cc1.N#Cc1ccc(-c2nnc(NC[C@H]3CCCO3)c3cnccc23)cc1.OCCCNc1nnc(-c2ccc(Cl)cc2)c2ccncc12.OC[C@@H](Nc1nnc(-c2ccc(Cl)cc2)c2ccncc12)C(F)(F)F.OC[C@H](Nc1nnc(-c2ccc(Cl)cc2)c2ccncc12)C(F)(F)F.

What is the InChIKey of 1-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3R)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3S)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;3-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]propan-1-ol;(2S)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;4-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile?

The InChIKey is SXPOEUVQMUEXFA-OYAIKQPOSA-N. The full InChI is InChI=1S/C19H17N5O.C18H17ClN4O2.2C17H15ClN4O.2C16H12ClF3N4O.C16H15ClN4O/c20-10-13-3-5-14(6-4-13)18-16-7-8-21-12-17(16)19(24-23-18)22-11-15-2-1-9-25-15;19-13-3-1-12(2-4-13)17-15-5-6-20-10-16(15)18(23-22-17)21-9-14-11-24-7-8-25-14;2*18-12-3-1-11(2-4-12)16-14-5-7-19-9-15(14)17(22-21-16)20-13-6-8-23-10-13;2*17-10-3-1-9(2-4-10)14-11-5-6-21-7-12(11)15(24-23-14)22-13(8-25)16(18,19)20;17-12-4-2-11(3-5-12)15-13-6-8-18-10-14(13)16(21-20-15)19-7-1-9-22/h3-8,12,15H,1-2,9,11H2,(H,22,24);1-6,10,14H,7-9,11H2,(H,21,23);2*1-5,7,9,13H,6,8,10H2,(H,20,22);2*1-7,13,25H,8H2,(H,22,24);2-6,8,10,22H,1,7,9H2,(H,19,21)/t15-;14-;4*13-;/m101010./s1.

What are the key properties of 1-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3R)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3S)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;3-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]propan-1-ol;(2S)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;4-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile?

1-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3R)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3S)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;3-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]propan-1-ol;(2S)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;4-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile has a molecular weight of 2394.03 g/mol, XLogP of 23.92, 27 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3R)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;1-(4-chlorophenyl)-N-[(3S)-oxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine;3-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]propan-1-ol;(2S)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol;4-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile is sourced from PubChem (CID 167668049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).