bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid)

C118H128Cl4N28O12S7 — CID 161464549

About bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid)

bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid) (PubChem CID 161464549) has the molecular formula C118H128Cl4N28O12S7 and a molecular weight of 2496.79 g/mol. Its IUPAC name is bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid).

Molecular Properties

• Compound Name: bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid)
• PubChem CID: 161464549
• Molecular Formula: C118H128Cl4N28O12S7
• Molecular Weight: 2496.79 g/mol
• Exact Mass: 2492.71
• IUPAC Name: bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid)
• SMILES: C.C.COC(=O)c1cnc2sc(C)nc2c1C(C)C.COC(=O)c1cnc2sc(C)nc2c1C(C)C.COC(=O)c1cnc2sc(C)nc2c1C(C)C.Cc1nc2c(C(C)C)c(C(=O)O)cnc2s1.Cc1nc2c(C(C)C)c(C(=O)O)cnc2s1.Cc1nc2c(C(C)C)c(CC(=O)Cc3cnc(-n4cccn4)c(Cl)c3)cnc2s1.Cc1nc2c(C(C)C)c(CC(=O)Cc3cnc(-n4cccn4)c(Cl)c3)cnc2s1.Nc1cnc(-n2cccn2)c(Cl)c1.Nc1cnc(-n2cccn2)c(Cl)c1
• InChI: InChI=1S/2C21H20ClN5OS.3C12H14N2O2S.2C11H12N2O2S.2C8H7ClN4.2CH4/c2*1-12(2)18-15(11-24-21-19(18)26-13(3)29-21)9-16(28)7-14-8-17(22)20(23-10-14)27-6-4-5-25-27;3*1-6(2)9-8(12(15)16-4)5-13-11-10(9)14-7(3)17-11;2*1-5(2)8-7(11(14)15)4-12-10-9(8)13-6(3)16-10;2*9-7-4-6(10)5-11-8(7)13-3-1-2-12-13;;/h2*4-6,8,10-12H,7,9H2,1-3H3;3*5-6H,1-4H3;2*4-5H,1-3H3,(H,14,15);2*1-5H,10H2;2*1H4
• InChIKey: WCGGENCTGDFXHN-UHFFFAOYSA-N
• XLogP: 28.07
• TPSA: 542.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 45
• Rotatable Bonds: 24
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2496.79
LogP ≤ 5	28.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid)?

The IUPAC name of bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid) (CID 161464549) is bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid).

What is the SMILES notation for bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid)?

The canonical SMILES for bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid) is C.C.COC(=O)c1cnc2sc(C)nc2c1C(C)C.COC(=O)c1cnc2sc(C)nc2c1C(C)C.COC(=O)c1cnc2sc(C)nc2c1C(C)C.Cc1nc2c(C(C)C)c(C(=O)O)cnc2s1.Cc1nc2c(C(C)C)c(C(=O)O)cnc2s1.Cc1nc2c(C(C)C)c(CC(=O)Cc3cnc(-n4cccn4)c(Cl)c3)cnc2s1.Cc1nc2c(C(C)C)c(CC(=O)Cc3cnc(-n4cccn4)c(Cl)c3)cnc2s1.Nc1cnc(-n2cccn2)c(Cl)c1.Nc1cnc(-n2cccn2)c(Cl)c1.

What is the InChIKey of bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid)?

The InChIKey is WCGGENCTGDFXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20ClN5OS.3C12H14N2O2S.2C11H12N2O2S.2C8H7ClN4.2CH4/c2*1-12(2)18-15(11-24-21-19(18)26-13(3)29-21)9-16(28)7-14-8-17(22)20(23-10-14)27-6-4-5-25-27;3*1-6(2)9-8(12(15)16-4)5-13-11-10(9)14-7(3)17-11;2*1-5(2)8-7(11(14)15)4-12-10-9(8)13-6(3)16-10;2*9-7-4-6(10)5-11-8(7)13-3-1-2-12-13;;/h2*4-6,8,10-12H,7,9H2,1-3H3;3*5-6H,1-4H3;2*4-5H,1-3H3,(H,14,15);2*1-5H,10H2;2*1H4.

What are the key properties of bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid)?

bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid) has a molecular weight of 2496.79 g/mol, XLogP of 28.07, 24 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid) is sourced from PubChem (CID 161464549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).