N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrazole-3-carboxamide;methanol;methyl 1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid;thionyl dichloride

C33H34Cl3N11O7S — CID 161068473

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrazole-3-carboxamide;methanol;methyl 1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid;thionyl dichloride

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrazole-3-carboxamide;methanol;methyl 1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid;thionyl dichloride (PubChem CID 161068473) has the molecular formula C33H34Cl3N11O7S and a molecular weight of 835.13 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrazole-3-carboxamide;methanol;methyl 1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid;thionyl dichloride.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrazole-3-carboxamide;methanol;methyl 1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid;thionyl dichloride
• PubChem CID: 161068473
• Molecular Formula: C33H34Cl3N11O7S
• Molecular Weight: 835.13 g/mol
• Exact Mass: 833.14
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrazole-3-carboxamide;methanol;methyl 1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid;thionyl dichloride
• SMILES: CO.COC(=O)c1ccn[nH]1.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C#N.O=C(O)c1ccn[nH]1.O=S(Cl)Cl
• InChI: InChI=1S/C23H20ClN7O.C5H6N2O2.C4H4N2O2.CH4O.Cl2OS/c1-13-5-21(26)29-14(2)19(13)10-28-23(32)22-17(8-25)12-31(30-22)11-15-3-4-20-16(6-15)7-18(24)9-27-20;1-9-5(8)4-2-3-6-7-4;7-4(8)3-1-2-5-6-3;1-2;1-4(2)3/h3-7,9,12H,10-11H2,1-2H3,(H2,26,29)(H,28,32);2-3H,1H3,(H,6,7);1-2H,(H,5,6)(H,7,8);2H,1H3
• InChIKey: UEINNCHSDTWFRY-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 280.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	835.13
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrazole-3-carboxamide;methanol;methyl 1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid;thionyl dichloride?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrazole-3-carboxamide;methanol;methyl 1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid;thionyl dichloride (CID 161068473) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrazole-3-carboxamide;methanol;methyl 1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid;thionyl dichloride.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrazole-3-carboxamide;methanol;methyl 1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid;thionyl dichloride?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrazole-3-carboxamide;methanol;methyl 1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid;thionyl dichloride is CO.COC(=O)c1ccn[nH]1.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C#N.O=C(O)c1ccn[nH]1.O=S(Cl)Cl.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrazole-3-carboxamide;methanol;methyl 1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid;thionyl dichloride?

The InChIKey is UEINNCHSDTWFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O.C5H6N2O2.C4H4N2O2.CH4O.Cl2OS/c1-13-5-21(26)29-14(2)19(13)10-28-23(32)22-17(8-25)12-31(30-22)11-15-3-4-20-16(6-15)7-18(24)9-27-20;1-9-5(8)4-2-3-6-7-4;7-4(8)3-1-2-5-6-3;1-2;1-4(2)3/h3-7,9,12H,10-11H2,1-2H3,(H2,26,29)(H,28,32);2-3H,1H3,(H,6,7);1-2H,(H,5,6)(H,7,8);2H,1H3;.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrazole-3-carboxamide;methanol;methyl 1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid;thionyl dichloride?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrazole-3-carboxamide;methanol;methyl 1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid;thionyl dichloride has a molecular weight of 835.13 g/mol, XLogP of 4.48, 7 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrazole-3-carboxamide;methanol;methyl 1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid;thionyl dichloride is sourced from PubChem (CID 161068473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).