[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride

C26H26Cl3N5O2 — CID 162311753

About [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride

[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 162311753) has the molecular formula C26H26Cl3N5O2 and a molecular weight of 546.89 g/mol. Its IUPAC name is [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

• Compound Name: [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
• PubChem CID: 162311753
• Molecular Formula: C26H26Cl3N5O2
• Molecular Weight: 546.89 g/mol
• Exact Mass: 545.12
• IUPAC Name: [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
• SMILES: CC1CN(C(=O)c2ccc(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)cc2)CCN1.Cl
• InChI: InChI=1S/C26H25Cl2N5O2.ClH/c1-15-14-33(10-9-30-15)26(34)18-5-3-17(4-6-18)25-20-11-19(7-8-23(20)31-32-25)35-16(2)24-21(27)12-29-13-22(24)28;/h3-8,11-13,15-16,30H,9-10,14H2,1-2H3,(H,31,32);1H
• InChIKey: LVKRHIRCLMJTMA-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.89
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?

The IUPAC name of [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 162311753) is [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.

What is the SMILES notation for [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?

The canonical SMILES for [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is CC1CN(C(=O)c2ccc(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)cc2)CCN1.Cl.

What is the InChIKey of [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?

The InChIKey is LVKRHIRCLMJTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N5O2.ClH/c1-15-14-33(10-9-30-15)26(34)18-5-3-17(4-6-18)25-20-11-19(7-8-23(20)31-32-25)35-16(2)24-21(27)12-29-13-22(24)28;/h3-8,11-13,15-16,30H,9-10,14H2,1-2H3,(H,31,32);1H.

What are the key properties of [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?

[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 546.89 g/mol, XLogP of 5.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 162311753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).