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

C24H21Cl3N4O2 — CID 156565616

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

3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole (PubChem CID 156565616) has the molecular formula C24H21Cl3N4O2 and a molecular weight of 503.82 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole.

Molecular Properties

• Compound Name: 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
• PubChem CID: 156565616
• Molecular Formula: C24H21Cl3N4O2
• Molecular Weight: 503.82 g/mol
• Exact Mass: 502.07
• IUPAC Name: 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
• SMILES: C[C@@H](Oc1ccc2c(c1)c(-c1ccc(Cl)nc1)nn2C1CCCCO1)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C24H21Cl3N4O2/c1-14(23-18(25)12-28-13-19(23)26)33-16-6-7-20-17(10-16)24(15-5-8-21(27)29-11-15)30-31(20)22-4-2-3-9-32-22/h5-8,10-14,22H,2-4,9H2,1H3/t14-,22?/m1/s1
• InChIKey: OMUGEAGEWKXRGF-HNNQXCQYSA-N
• XLogP: 7.29
• TPSA: 62.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.82
LogP ≤ 5	7.29
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-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole?

The IUPAC name of 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole (CID 156565616) is 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-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-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole?

The canonical SMILES for 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole is C[C@@H](Oc1ccc2c(c1)c(-c1ccc(Cl)nc1)nn2C1CCCCO1)c1c(Cl)cncc1Cl.

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

The InChIKey is OMUGEAGEWKXRGF-HNNQXCQYSA-N. The full InChI is InChI=1S/C24H21Cl3N4O2/c1-14(23-18(25)12-28-13-19(23)26)33-16-6-7-20-17(10-16)24(15-5-8-21(27)29-11-15)30-31(20)22-4-2-3-9-32-22/h5-8,10-14,22H,2-4,9H2,1H3/t14-,22?/m1/s1.

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

3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole has a molecular weight of 503.82 g/mol, XLogP of 7.29, 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-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole is sourced from PubChem (CID 156565616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).