2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol

C23H20F2N6O2 — CID 146591773

About 2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol

2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol (PubChem CID 146591773) has the molecular formula C23H20F2N6O2 and a molecular weight of 450.45 g/mol. Its IUPAC name is 2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol
• PubChem CID: 146591773
• Molecular Formula: C23H20F2N6O2
• Molecular Weight: 450.45 g/mol
• Exact Mass: 450.16
• IUPAC Name: 2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol
• SMILES: C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc2c(cnn2CCO)cc1-n1cccn1
• InChI: InChI=1S/C23H20F2N6O2/c1-13(33-21-9-14-7-16(24)10-18(25)22(14)29-23(21)26)17-11-19-15(12-28-31(19)5-6-32)8-20(17)30-4-2-3-27-30/h2-4,7-13,32H,5-6H2,1H3,(H2,26,29)/t13-/m0/s1
• InChIKey: UZCKRJIOGJHZBC-ZDUSSCGKSA-N
• XLogP: 3.76
• TPSA: 104.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.45
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol?

The IUPAC name of 2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol (CID 146591773) is 2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol.

What is the SMILES notation for 2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol?

The canonical SMILES for 2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol is C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc2c(cnn2CCO)cc1-n1cccn1.

What is the InChIKey of 2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol?

The InChIKey is UZCKRJIOGJHZBC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H20F2N6O2/c1-13(33-21-9-14-7-16(24)10-18(25)22(14)29-23(21)26)17-11-19-15(12-28-31(19)5-6-32)8-20(17)30-4-2-3-27-30/h2-4,7-13,32H,5-6H2,1H3,(H2,26,29)/t13-/m0/s1.

What are the key properties of 2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol?

2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol has a molecular weight of 450.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol is sourced from PubChem (CID 146591773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).