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

C20H17Cl2N5O2 — CID 155076981

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

2-[4-[(E)-2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol (PubChem CID 155076981) has the molecular formula C20H17Cl2N5O2 and a molecular weight of 430.30 g/mol. Its IUPAC name is 2-[4-[(E)-2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[(E)-2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
• PubChem CID: 155076981
• Molecular Formula: C20H17Cl2N5O2
• Molecular Weight: 430.30 g/mol
• Exact Mass: 429.08
• IUPAC Name: 2-[4-[(E)-2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
• SMILES: OCCn1cc(/C=C/c2n[nH]c3ccc(OCc4c(Cl)cncc4Cl)cc23)cn1
• InChI: InChI=1S/C20H17Cl2N5O2/c21-17-9-23-10-18(22)16(17)12-29-14-2-4-20-15(7-14)19(25-26-20)3-1-13-8-24-27(11-13)5-6-28/h1-4,7-11,28H,5-6,12H2,(H,25,26)/b3-1+
• InChIKey: GEBQGJDSARIUHY-HNQUOIGGSA-N
• XLogP: 4.20
• TPSA: 88.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.30
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[4-[(E)-2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol (CID 155076981) is 2-[4-[(E)-2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol.

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

The canonical SMILES for 2-[4-[(E)-2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol is OCCn1cc(/C=C/c2n[nH]c3ccc(OCc4c(Cl)cncc4Cl)cc23)cn1.

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

The InChIKey is GEBQGJDSARIUHY-HNQUOIGGSA-N. The full InChI is InChI=1S/C20H17Cl2N5O2/c21-17-9-23-10-18(22)16(17)12-29-14-2-4-20-15(7-14)19(25-26-20)3-1-13-8-24-27(11-13)5-6-28/h1-4,7-11,28H,5-6,12H2,(H,25,26)/b3-1+.

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

2-[4-[(E)-2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol has a molecular weight of 430.30 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(E)-2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 155076981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).