N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;ethane

C28H30ClN7O2 — CID 145440950

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;ethane

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;ethane (PubChem CID 145440950) has the molecular formula C28H30ClN7O2 and a molecular weight of 532.05 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;ethane
• PubChem CID: 145440950
• Molecular Formula: C28H30ClN7O2
• Molecular Weight: 532.05 g/mol
• Exact Mass: 531.21
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;ethane
• SMILES: CC.COc1cc2c(C(=O)NCc3c(C)cc(N)nc3C)nn(Cc3ccc4ncc(Cl)cc4c3)c2cn1
• InChI: InChI=1S/C26H24ClN7O2.C2H6/c1-14-6-23(28)32-15(2)20(14)11-31-26(35)25-19-9-24(36-3)30-12-22(19)34(33-25)13-16-4-5-21-17(7-16)8-18(27)10-29-21;1-2/h4-10,12H,11,13H2,1-3H3,(H2,28,32)(H,31,35);1-2H3
• InChIKey: GROFEJDZMVEUOM-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 120.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.05
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;ethane?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;ethane (CID 145440950) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;ethane.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;ethane?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;ethane is CC.COc1cc2c(C(=O)NCc3c(C)cc(N)nc3C)nn(Cc3ccc4ncc(Cl)cc4c3)c2cn1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;ethane?

The InChIKey is GROFEJDZMVEUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O2.C2H6/c1-14-6-23(28)32-15(2)20(14)11-31-26(35)25-19-9-24(36-3)30-12-22(19)34(33-25)13-16-4-5-21-17(7-16)8-18(27)10-29-21;1-2/h4-10,12H,11,13H2,1-3H3,(H2,28,32)(H,31,35);1-2H3.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;ethane?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;ethane has a molecular weight of 532.05 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 145440950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).