N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-chloro-1H-indazole;5-chloro-2-[(4-methyl-2-pyridinyl)methyl]indazole;methane;methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate

C₅₃H₅₃Cl₃N₁₂O₆S — CID 159345171

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-chloro-1H-indazole;5-chloro-2-[(4-methyl-2-pyridinyl)methyl]indazole;methane;methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-chloro-1H-indazole;5-chloro-2-[(4-methyl-2-pyridinyl)methyl]indazole;methane;methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate (PubChem CID 159345171) has the molecular formula C₅₃H₅₃Cl₃N₁₂O₆S and a molecular weight of 1092.51 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-chloro-1H-indazole;5-chloro-2-[(4-methyl-2-pyridinyl)methyl]indazole;methane;methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-chloro-1H-indazole;5-chloro-2-[(4-methyl-2-pyridinyl)methyl]indazole;methane;methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate
• PubChem CID: 159345171
• Molecular Formula: C₅₃H₅₃Cl₃N₁₂O₆S
• Molecular Weight: 1092.51 g/mol
• Exact Mass: 1090.30
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-chloro-1H-indazole;5-chloro-2-[(4-methyl-2-pyridinyl)methyl]indazole;methane;methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate
• SMILES: C.COC(=O)c1ccnc(COS(C)(=O)=O)c1.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2cc3cc(Cl)ccc3n2)c1.Cc1ccnc(Cn2cc3cc(Cl)ccc3n2)c1.Clc1ccc2[nH]ncc2c1
• InChI: InChI=1S/C22H21ClN6O.C14H12ClN3.C9H11NO5S.C7H5ClN2.CH4/c1-13-7-21(24)27-14(2)19(13)10-26-22(30)15-5-6-25-18(9-15)12-29-11-16-8-17(23)3-4-20(16)28-29;1-10-4-5-16-13(6-10)9-18-8-11-7-12(15)2-3-14(11)17-18;1-14-9(11)7-3-4-10-8(5-7)6-15-16(2,12)13;8-6-1-2-7-5(3-6)4-9-10-7;/h3-9,11H,10,12H2,1-2H3,(H2,24,27)(H,26,30);2-8H,9H2,1H3;3-5H,6H2,1-2H3;1-4H,(H,9,10);1H4
• InChIKey: LGPZUMNVGLBSRM-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 240.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1092.51
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-chloro-1H-indazole;5-chloro-2-[(4-methyl-2-pyridinyl)methyl]indazole;methane;methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-chloro-1H-indazole;5-chloro-2-[(4-methyl-2-pyridinyl)methyl]indazole;methane;methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate (CID 159345171) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-chloro-1H-indazole;5-chloro-2-[(4-methyl-2-pyridinyl)methyl]indazole;methane;methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-chloro-1H-indazole;5-chloro-2-[(4-methyl-2-pyridinyl)methyl]indazole;methane;methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-chloro-1H-indazole;5-chloro-2-[(4-methyl-2-pyridinyl)methyl]indazole;methane;methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate is C.COC(=O)c1ccnc(COS(C)(=O)=O)c1.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2cc3cc(Cl)ccc3n2)c1.Cc1ccnc(Cn2cc3cc(Cl)ccc3n2)c1.Clc1ccc2[nH]ncc2c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-chloro-1H-indazole;5-chloro-2-[(4-methyl-2-pyridinyl)methyl]indazole;methane;methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate?

The InChIKey is LGPZUMNVGLBSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O.C14H12ClN3.C9H11NO5S.C7H5ClN2.CH4/c1-13-7-21(24)27-14(2)19(13)10-26-22(30)15-5-6-25-18(9-15)12-29-11-16-8-17(23)3-4-20(16)28-29;1-10-4-5-16-13(6-10)9-18-8-11-7-12(15)2-3-14(11)17-18;1-14-9(11)7-3-4-10-8(5-7)6-15-16(2,12)13;8-6-1-2-7-5(3-6)4-9-10-7;/h3-9,11H,10,12H2,1-2H3,(H2,24,27)(H,26,30);2-8H,9H2,1H3;3-5H,6H2,1-2H3;1-4H,(H,9,10);1H4.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-chloro-1H-indazole;5-chloro-2-[(4-methyl-2-pyridinyl)methyl]indazole;methane;methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-chloro-1H-indazole;5-chloro-2-[(4-methyl-2-pyridinyl)methyl]indazole;methane;methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate has a molecular weight of 1092.51 g/mol, XLogP of 10.30, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-chloro-1H-indazole;5-chloro-2-[(4-methyl-2-pyridinyl)methyl]indazole;methane;methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate is sourced from PubChem (CID 159345171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159345171 — identifiers, structure, computed properties (public domain)

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