N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride

C61H66Cl4N18O6 — CID 159227884

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride (PubChem CID 159227884) has the molecular formula C61H66Cl4N18O6 and a molecular weight of 1289.13 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride
• PubChem CID: 159227884
• Molecular Formula: C61H66Cl4N18O6
• Molecular Weight: 1289.13 g/mol
• Exact Mass: 1286.42
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride
• SMILES: C.C1CCOC1.COC(=O)c1ccnc(Cn2ncc3cc(Cl)cnc32)c1.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2ncc3cc(Cl)cnc32)c1.Cl.O=C(O)c1ccnc(Cn2ncc3cc(Cl)cnc32)c1
• InChI: InChI=1S/C21H20ClN7O.C14H11ClN4O2.C13H9ClN4O2.C8H13N3.C4H8O.CH4.ClH/c1-12-5-19(23)28-13(2)18(12)10-26-21(30)14-3-4-24-17(7-14)11-29-20-15(8-27-29)6-16(22)9-25-20;1-21-14(20)9-2-3-16-12(5-9)8-19-13-10(6-18-19)4-11(15)7-17-13;14-10-3-9-5-17-18(12(9)16-6-10)7-11-4-8(13(19)20)1-2-15-11;1-5-3-8(10)11-6(2)7(5)4-9;1-2-4-5-3-1;;/h3-9H,10-11H2,1-2H3,(H2,23,28)(H,26,30);2-7H,8H2,1H3;1-6H,7H2,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1-4H2;1H4;1H
• InChIKey: QHSXIYWBOOXTFP-UHFFFAOYSA-N
• XLogP: 10.19
• TPSA: 336.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.13
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride (CID 159227884) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride is C.C1CCOC1.COC(=O)c1ccnc(Cn2ncc3cc(Cl)cnc32)c1.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2ncc3cc(Cl)cnc32)c1.Cl.O=C(O)c1ccnc(Cn2ncc3cc(Cl)cnc32)c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride?

The InChIKey is QHSXIYWBOOXTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7O.C14H11ClN4O2.C13H9ClN4O2.C8H13N3.C4H8O.CH4.ClH/c1-12-5-19(23)28-13(2)18(12)10-26-21(30)14-3-4-24-17(7-14)11-29-20-15(8-27-29)6-16(22)9-25-20;1-21-14(20)9-2-3-16-12(5-9)8-19-13-10(6-18-19)4-11(15)7-17-13;14-10-3-9-5-17-18(12(9)16-6-10)7-11-4-8(13(19)20)1-2-15-11;1-5-3-8(10)11-6(2)7(5)4-9;1-2-4-5-3-1;;/h3-9H,10-11H2,1-2H3,(H2,23,28)(H,26,30);2-7H,8H2,1H3;1-6H,7H2,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1-4H2;1H4;1H.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride has a molecular weight of 1289.13 g/mol, XLogP of 10.19, 12 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride is sourced from PubChem (CID 159227884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).