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

C19H13Cl3N4O — CID 166462317

IUPAC3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3ccc(Cl)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C19H13Cl3N4O/c1-10(18-14(20)8-23-9-15(18)21)27-12-3-4-16-13(6-12)19(26-25-16)11-2-5-17(22)24-7-11/h2-10H,1H3,(H,25,26)/t10-/m1/s1
InChIKeyUKDOWXSLSIGSNR-SNVBAGLBSA-N
MW419.70 g/mol
LogP6.12
Rot. Bonds4

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

3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole (PubChem CID 166462317) has the molecular formula C19H13Cl3N4O and a molecular weight of 419.70 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole
PubChem CID166462317
Molecular FormulaC19H13Cl3N4O
Molecular Weight419.70 g/mol
Exact Mass418.02
IUPAC Name3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3ccc(Cl)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C19H13Cl3N4O/c1-10(18-14(20)8-23-9-15(18)21)27-12-3-4-16-13(6-12)19(26-25-16)11-2-5-17(22)24-7-11/h2-10H,1H3,(H,25,26)/t10-/m1/s1
InChIKeyUKDOWXSLSIGSNR-SNVBAGLBSA-N
XLogP6.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.70
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole (CID 166462317) is 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole is C[C@@H](Oc1ccc2[nH]nc(-c3ccc(Cl)nc3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole?
The InChIKey is UKDOWXSLSIGSNR-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H13Cl3N4O/c1-10(18-14(20)8-23-9-15(18)21)27-12-3-4-16-13(6-12)19(26-25-16)11-2-5-17(22)24-7-11/h2-10H,1H3,(H,25,26)/t10-/m1/s1.
What are the key properties of 3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole?
3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole has a molecular weight of 419.70 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]-1H-indazole is sourced from PubChem (CID 166462317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).