3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole

C25H23Cl3N4O2 — CID 156578188

About 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole

3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole (PubChem CID 156578188) has the molecular formula C25H23Cl3N4O2 and a molecular weight of 517.84 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole.

Molecular Properties

• Compound Name: 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
• PubChem CID: 156578188
• Molecular Formula: C25H23Cl3N4O2
• Molecular Weight: 517.84 g/mol
• Exact Mass: 516.09
• IUPAC Name: 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
• SMILES: Cc1ncc(Cl)c([C@@H](C)Oc2ccc3c(c2)c(-c2ccc(Cl)nc2)nn3C2CCCCO2)c1Cl
• InChI: InChI=1S/C25H23Cl3N4O2/c1-14-24(28)23(19(26)13-29-14)15(2)34-17-7-8-20-18(11-17)25(16-6-9-21(27)30-12-16)31-32(20)22-5-3-4-10-33-22/h6-9,11-13,15,22H,3-5,10H2,1-2H3/t15-,22?/m1/s1
• InChIKey: WWGBESPIPQVNJR-JGHKVMFLSA-N
• XLogP: 7.60
• TPSA: 62.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.84
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole?

The IUPAC name of 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole (CID 156578188) is 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole.

What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole?

The canonical SMILES for 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole is Cc1ncc(Cl)c([C@@H](C)Oc2ccc3c(c2)c(-c2ccc(Cl)nc2)nn3C2CCCCO2)c1Cl.

What is the InChIKey of 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole?

The InChIKey is WWGBESPIPQVNJR-JGHKVMFLSA-N. The full InChI is InChI=1S/C25H23Cl3N4O2/c1-14-24(28)23(19(26)13-29-14)15(2)34-17-7-8-20-18(11-17)25(16-6-9-21(27)30-12-16)31-32(20)22-5-3-4-10-33-22/h6-9,11-13,15,22H,3-5,10H2,1-2H3/t15-,22?/m1/s1.

What are the key properties of 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole?

3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole has a molecular weight of 517.84 g/mol, XLogP of 7.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole is sourced from PubChem (CID 156578188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).