2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol

C26H27Cl2N5O3 — CID 134593579

About 2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol

2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol (PubChem CID 134593579) has the molecular formula C26H27Cl2N5O3 and a molecular weight of 528.44 g/mol. Its IUPAC name is 2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
• PubChem CID: 134593579
• Molecular Formula: C26H27Cl2N5O3
• Molecular Weight: 528.44 g/mol
• Exact Mass: 527.15
• IUPAC Name: 2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
• SMILES: CC(Oc1ccc2c(c1)c(/C=C/c1cnn(CCO)c1)nn2C1CCCCO1)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C26H27Cl2N5O3/c1-17(26-21(27)14-29-15-22(26)28)36-19-6-8-24-20(12-19)23(31-33(24)25-4-2-3-11-35-25)7-5-18-13-30-32(16-18)9-10-34/h5-8,12-17,25,34H,2-4,9-11H2,1H3/b7-5+
• InChIKey: QZLICEGQZOADJO-FNORWQNLSA-N
• XLogP: 5.94
• TPSA: 87.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.44
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?

The IUPAC name of 2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol (CID 134593579) is 2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol.

What is the SMILES notation for 2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?

The canonical SMILES for 2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol is CC(Oc1ccc2c(c1)c(/C=C/c1cnn(CCO)c1)nn2C1CCCCO1)c1c(Cl)cncc1Cl.

What is the InChIKey of 2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?

The InChIKey is QZLICEGQZOADJO-FNORWQNLSA-N. The full InChI is InChI=1S/C26H27Cl2N5O3/c1-17(26-21(27)14-29-15-22(26)28)36-19-6-8-24-20(12-19)23(31-33(24)25-4-2-3-11-35-25)7-5-18-13-30-32(16-18)9-10-34/h5-8,12-17,25,34H,2-4,9-11H2,1H3/b7-5+.

What are the key properties of 2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?

2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol has a molecular weight of 528.44 g/mol, XLogP of 5.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 134593579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).