2-chloro-5-iodo-N-(oxetan-3-yl)pyridin-4-amine;2-[2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropyl]propan-2-ol;7-[5-[5-[2-(2-hydroxypropan-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methyl 2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate;methyl 2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile

C84H89BCl3IN22O12S4 — CID 160998934

About 2-chloro-5-iodo-N-(oxetan-3-yl)pyridin-4-amine;2-[2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropyl]propan-2-ol;7-[5-[5-[2-(2-hydroxypropan-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methyl 2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate;methyl 2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile

2-chloro-5-iodo-N-(oxetan-3-yl)pyridin-4-amine;2-[2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropyl]propan-2-ol;7-[5-[5-[2-(2-hydroxypropan-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methyl 2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate;methyl 2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 160998934) has the molecular formula C84H89BCl3IN22O12S4 and a molecular weight of 1971.12 g/mol. Its IUPAC name is 2-chloro-5-iodo-N-(oxetan-3-yl)pyridin-4-amine;2-[2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropyl]propan-2-ol;7-[5-[5-[2-(2-hydroxypropan-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methyl 2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate;methyl 2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-chloro-5-iodo-N-(oxetan-3-yl)pyridin-4-amine;2-[2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropyl]propan-2-ol;7-[5-[5-[2-(2-hydroxypropan-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methyl 2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate;methyl 2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
• PubChem CID: 160998934
• Molecular Formula: C84H89BCl3IN22O12S4
• Molecular Weight: 1971.12 g/mol
• Exact Mass: 1968.41
• IUPAC Name: 2-chloro-5-iodo-N-(oxetan-3-yl)pyridin-4-amine;2-[2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropyl]propan-2-ol;7-[5-[5-[2-(2-hydroxypropan-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methyl 2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate;methyl 2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
• SMILES: CC(C)(O)C1CC1c1nnc(-c2cnc(-c3ccc4cc(C#N)cnn34)cc2NC2COC2)s1.CC(C)(O)C1CC1c1nnc(-c2cnc(Cl)cc2NC2COC2)s1.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.COC(=O)C1CC1c1nnc(-c2cnc(Cl)cc2NC2COC2)s1.COC(=O)C1CC1c1nncs1.Clc1cc(NC2COC2)c(I)cn1
• InChI: InChI=1S/C24H23N7O2S.C16H19ClN4O2S.C15H15ClN4O3S.C14H16BN3O2.C8H8ClIN2O.C7H8N2O2S/c1-24(2,32)18-6-16(18)22-29-30-23(34-22)17-10-26-20(7-19(17)28-14-11-33-12-14)21-4-3-15-5-13(8-25)9-27-31(15)21;1-16(2,22)11-3-9(11)14-20-21-15(24-14)10-5-18-13(17)4-12(10)19-8-6-23-7-8;1-22-15(21)9-2-8(9)13-19-20-14(24-13)10-4-17-12(16)3-11(10)18-7-5-23-6-7;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;9-8-1-7(6(10)2-11-8)12-5-3-13-4-5;1-11-7(10)5-2-4(5)6-9-8-3-12-6/h3-5,7,9-10,14,16,18,32H,6,11-12H2,1-2H3,(H,26,28);4-5,8-9,11,22H,3,6-7H2,1-2H3,(H,18,19);3-4,7-9H,2,5-6H2,1H3,(H,17,18);5-7,9H,1-4H3;1-2,5H,3-4H2,(H,11,12);3-5H,2H2,1H3
• InChIKey: TVPMEANCHUCCKQ-UHFFFAOYSA-N
• XLogP: 13.22
• TPSA: 433.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 21
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1971.12
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-N-(oxetan-3-yl)pyridin-4-amine;2-[2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropyl]propan-2-ol;7-[5-[5-[2-(2-hydroxypropan-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methyl 2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate;methyl 2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile?

The IUPAC name of 2-chloro-5-iodo-N-(oxetan-3-yl)pyridin-4-amine;2-[2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropyl]propan-2-ol;7-[5-[5-[2-(2-hydroxypropan-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methyl 2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate;methyl 2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile (CID 160998934) is 2-chloro-5-iodo-N-(oxetan-3-yl)pyridin-4-amine;2-[2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropyl]propan-2-ol;7-[5-[5-[2-(2-hydroxypropan-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methyl 2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate;methyl 2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile.

What is the SMILES notation for 2-chloro-5-iodo-N-(oxetan-3-yl)pyridin-4-amine;2-[2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropyl]propan-2-ol;7-[5-[5-[2-(2-hydroxypropan-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methyl 2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate;methyl 2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile?

The canonical SMILES for 2-chloro-5-iodo-N-(oxetan-3-yl)pyridin-4-amine;2-[2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropyl]propan-2-ol;7-[5-[5-[2-(2-hydroxypropan-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methyl 2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate;methyl 2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile is CC(C)(O)C1CC1c1nnc(-c2cnc(-c3ccc4cc(C#N)cnn34)cc2NC2COC2)s1.CC(C)(O)C1CC1c1nnc(-c2cnc(Cl)cc2NC2COC2)s1.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.COC(=O)C1CC1c1nnc(-c2cnc(Cl)cc2NC2COC2)s1.COC(=O)C1CC1c1nncs1.Clc1cc(NC2COC2)c(I)cn1.

What is the InChIKey of 2-chloro-5-iodo-N-(oxetan-3-yl)pyridin-4-amine;2-[2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropyl]propan-2-ol;7-[5-[5-[2-(2-hydroxypropan-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methyl 2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate;methyl 2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile?

The InChIKey is TVPMEANCHUCCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2S.C16H19ClN4O2S.C15H15ClN4O3S.C14H16BN3O2.C8H8ClIN2O.C7H8N2O2S/c1-24(2,32)18-6-16(18)22-29-30-23(34-22)17-10-26-20(7-19(17)28-14-11-33-12-14)21-4-3-15-5-13(8-25)9-27-31(15)21;1-16(2,22)11-3-9(11)14-20-21-15(24-14)10-5-18-13(17)4-12(10)19-8-6-23-7-8;1-22-15(21)9-2-8(9)13-19-20-14(24-13)10-4-17-12(16)3-11(10)18-7-5-23-6-7;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;9-8-1-7(6(10)2-11-8)12-5-3-13-4-5;1-11-7(10)5-2-4(5)6-9-8-3-12-6/h3-5,7,9-10,14,16,18,32H,6,11-12H2,1-2H3,(H,26,28);4-5,8-9,11,22H,3,6-7H2,1-2H3,(H,18,19);3-4,7-9H,2,5-6H2,1H3,(H,17,18);5-7,9H,1-4H3;1-2,5H,3-4H2,(H,11,12);3-5H,2H2,1H3.

What are the key properties of 2-chloro-5-iodo-N-(oxetan-3-yl)pyridin-4-amine;2-[2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropyl]propan-2-ol;7-[5-[5-[2-(2-hydroxypropan-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methyl 2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate;methyl 2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile?

2-chloro-5-iodo-N-(oxetan-3-yl)pyridin-4-amine;2-[2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropyl]propan-2-ol;7-[5-[5-[2-(2-hydroxypropan-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methyl 2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate;methyl 2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 1971.12 g/mol, XLogP of 13.22, 21 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-iodo-N-(oxetan-3-yl)pyridin-4-amine;2-[2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropyl]propan-2-ol;7-[5-[5-[2-(2-hydroxypropan-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methyl 2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate;methyl 2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 160998934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).