2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate

C87H101Cl3N20O11 — CID 158514318

About 2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate

2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate (PubChem CID 158514318) has the molecular formula C87H101Cl3N20O11 and a molecular weight of 1709.25 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate.

Molecular Properties

• Compound Name: 2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate
• PubChem CID: 158514318
• Molecular Formula: C87H101Cl3N20O11
• Molecular Weight: 1709.25 g/mol
• Exact Mass: 1706.70
• IUPAC Name: 2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate
• SMILES: CC(C)(O)C1CCC(N)CC1.CC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1C(=O)NC1CCC(C(C)(C)O)CC1.CC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1C(=O)O.COC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC(C)C.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1NC(C)C
• InChI: InChI=1S/C26H32N6O2.C18H17N5O2.C17H15N5O2.C10H13ClN2O2.C9H19NO.C7H5Cl2NO2/c1-16(2)30-22-12-23(24-10-9-20-11-17(13-27)14-29-32(20)24)28-15-21(22)25(33)31-19-7-5-18(6-8-19)26(3,4)34;1-11(2)22-15-7-16(20-10-14(15)18(24)25-3)17-5-4-13-6-12(8-19)9-21-23(13)17;1-10(2)21-14-6-15(19-9-13(14)17(23)24)16-4-3-12-5-11(7-18)8-20-22(12)16;1-6(2)13-8-4-9(11)12-5-7(8)10(14)15-3;1-9(2,11)7-3-5-8(10)6-4-7;1-12-7(11)4-3-10-6(9)2-5(4)8/h9-12,14-16,18-19,34H,5-8H2,1-4H3,(H,28,30)(H,31,33);4-7,9-11H,1-3H3,(H,20,22);3-6,8-10H,1-2H3,(H,19,21)(H,23,24);4-6H,1-3H3,(H,12,13);7-8,11H,3-6,10H2,1-2H3;2-3H,1H3
• InChIKey: HLLCTDMIVDOCAN-UHFFFAOYSA-N
• XLogP: 15.60
• TPSA: 447.62 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1709.25
LogP ≤ 5	15.60
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate?

The IUPAC name of 2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate (CID 158514318) is 2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate.

What is the SMILES notation for 2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate?

The canonical SMILES for 2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate is CC(C)(O)C1CCC(N)CC1.CC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1C(=O)NC1CCC(C(C)(C)O)CC1.CC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1C(=O)O.COC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC(C)C.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1NC(C)C.

What is the InChIKey of 2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate?

The InChIKey is HLLCTDMIVDOCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2.C18H17N5O2.C17H15N5O2.C10H13ClN2O2.C9H19NO.C7H5Cl2NO2/c1-16(2)30-22-12-23(24-10-9-20-11-17(13-27)14-29-32(20)24)28-15-21(22)25(33)31-19-7-5-18(6-8-19)26(3,4)34;1-11(2)22-15-7-16(20-10-14(15)18(24)25-3)17-5-4-13-6-12(8-19)9-21-23(13)17;1-10(2)21-14-6-15(19-9-13(14)17(23)24)16-4-3-12-5-11(7-18)8-20-22(12)16;1-6(2)13-8-4-9(11)12-5-7(8)10(14)15-3;1-9(2,11)7-3-5-8(10)6-4-7;1-12-7(11)4-3-10-6(9)2-5(4)8/h9-12,14-16,18-19,34H,5-8H2,1-4H3,(H,28,30)(H,31,33);4-7,9-11H,1-3H3,(H,20,22);3-6,8-10H,1-2H3,(H,19,21)(H,23,24);4-6H,1-3H3,(H,12,13);7-8,11H,3-6,10H2,1-2H3;2-3H,1H3.

What are the key properties of 2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate?

2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate has a molecular weight of 1709.25 g/mol, XLogP of 15.60, 19 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 158514318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).