7-(5,6-dimethyl-1H-indazol-4-yl)-6-fluoro-8-methyl-4-[(1-methylpyrrolidin-2-yl)methoxy]-1-piperidin-4-ylpyrazolo[4,5-c]quinoline

C31H36FN7O — CID 166803532

About 7-(5,6-dimethyl-1H-indazol-4-yl)-6-fluoro-8-methyl-4-[(1-methylpyrrolidin-2-yl)methoxy]-1-piperidin-4-ylpyrazolo[4,5-c]quinoline

7-(5,6-dimethyl-1H-indazol-4-yl)-6-fluoro-8-methyl-4-[(1-methylpyrrolidin-2-yl)methoxy]-1-piperidin-4-ylpyrazolo[4,5-c]quinoline (PubChem CID 166803532) has the molecular formula C31H36FN7O and a molecular weight of 541.68 g/mol. Its IUPAC name is 7-(5,6-dimethyl-1H-indazol-4-yl)-6-fluoro-8-methyl-4-[(1-methylpyrrolidin-2-yl)methoxy]-1-piperidin-4-ylpyrazolo[4,5-c]quinoline.

Molecular Properties

• Compound Name: 7-(5,6-dimethyl-1H-indazol-4-yl)-6-fluoro-8-methyl-4-[(1-methylpyrrolidin-2-yl)methoxy]-1-piperidin-4-ylpyrazolo[4,5-c]quinoline
• PubChem CID: 166803532
• Molecular Formula: C31H36FN7O
• Molecular Weight: 541.68 g/mol
• Exact Mass: 541.30
• IUPAC Name: 7-(5,6-dimethyl-1H-indazol-4-yl)-6-fluoro-8-methyl-4-[(1-methylpyrrolidin-2-yl)methoxy]-1-piperidin-4-ylpyrazolo[4,5-c]quinoline
• SMILES: Cc1cc2[nH]ncc2c(-c2c(C)cc3c(nc(OCC4CCCN4C)c4cnn(C5CCNCC5)c43)c2F)c1C
• InChI: InChI=1S/C31H36FN7O/c1-17-13-25-23(14-34-37-25)27(19(17)3)26-18(2)12-22-29(28(26)32)36-31(40-16-21-6-5-11-38(21)4)24-15-35-39(30(22)24)20-7-9-33-10-8-20/h12-15,20-21,33H,5-11,16H2,1-4H3,(H,34,37)
• InChIKey: LPRRIBGTELQJRK-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 83.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.68
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(5,6-dimethyl-1H-indazol-4-yl)-6-fluoro-8-methyl-4-[(1-methylpyrrolidin-2-yl)methoxy]-1-piperidin-4-ylpyrazolo[4,5-c]quinoline?

The IUPAC name of 7-(5,6-dimethyl-1H-indazol-4-yl)-6-fluoro-8-methyl-4-[(1-methylpyrrolidin-2-yl)methoxy]-1-piperidin-4-ylpyrazolo[4,5-c]quinoline (CID 166803532) is 7-(5,6-dimethyl-1H-indazol-4-yl)-6-fluoro-8-methyl-4-[(1-methylpyrrolidin-2-yl)methoxy]-1-piperidin-4-ylpyrazolo[4,5-c]quinoline.

What is the SMILES notation for 7-(5,6-dimethyl-1H-indazol-4-yl)-6-fluoro-8-methyl-4-[(1-methylpyrrolidin-2-yl)methoxy]-1-piperidin-4-ylpyrazolo[4,5-c]quinoline?

The canonical SMILES for 7-(5,6-dimethyl-1H-indazol-4-yl)-6-fluoro-8-methyl-4-[(1-methylpyrrolidin-2-yl)methoxy]-1-piperidin-4-ylpyrazolo[4,5-c]quinoline is Cc1cc2[nH]ncc2c(-c2c(C)cc3c(nc(OCC4CCCN4C)c4cnn(C5CCNCC5)c43)c2F)c1C.

What is the InChIKey of 7-(5,6-dimethyl-1H-indazol-4-yl)-6-fluoro-8-methyl-4-[(1-methylpyrrolidin-2-yl)methoxy]-1-piperidin-4-ylpyrazolo[4,5-c]quinoline?

The InChIKey is LPRRIBGTELQJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN7O/c1-17-13-25-23(14-34-37-25)27(19(17)3)26-18(2)12-22-29(28(26)32)36-31(40-16-21-6-5-11-38(21)4)24-15-35-39(30(22)24)20-7-9-33-10-8-20/h12-15,20-21,33H,5-11,16H2,1-4H3,(H,34,37).

What are the key properties of 7-(5,6-dimethyl-1H-indazol-4-yl)-6-fluoro-8-methyl-4-[(1-methylpyrrolidin-2-yl)methoxy]-1-piperidin-4-ylpyrazolo[4,5-c]quinoline?

7-(5,6-dimethyl-1H-indazol-4-yl)-6-fluoro-8-methyl-4-[(1-methylpyrrolidin-2-yl)methoxy]-1-piperidin-4-ylpyrazolo[4,5-c]quinoline has a molecular weight of 541.68 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5,6-dimethyl-1H-indazol-4-yl)-6-fluoro-8-methyl-4-[(1-methylpyrrolidin-2-yl)methoxy]-1-piperidin-4-ylpyrazolo[4,5-c]quinoline is sourced from PubChem (CID 166803532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).