5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole

C22H16Cl2N4O — CID 137133122

IUPAC5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C22H16Cl2N4O/c1-12(21-16(23)10-25-11-17(21)24)29-14-6-7-19-15(9-14)22(28-27-19)20-8-13-4-2-3-5-18(13)26-20/h2-12,26H,1H3,(H,27,28)
InChIKeyYGIBFXGLELLTGI-UHFFFAOYSA-N
MW423.30 g/mol
LogP6.55
Rot. Bonds4

About 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole

5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole (PubChem CID 137133122) has the molecular formula C22H16Cl2N4O and a molecular weight of 423.30 g/mol. Its IUPAC name is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole
PubChem CID137133122
Molecular FormulaC22H16Cl2N4O
Molecular Weight423.30 g/mol
Exact Mass422.07
IUPAC Name5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C22H16Cl2N4O/c1-12(21-16(23)10-25-11-17(21)24)29-14-6-7-19-15(9-14)22(28-27-19)20-8-13-4-2-3-5-18(13)26-20/h2-12,26H,1H3,(H,27,28)
InChIKeyYGIBFXGLELLTGI-UHFFFAOYSA-N
XLogP6.55
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole?
The IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole (CID 137133122) is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole.
What is the SMILES notation for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole?
The canonical SMILES for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole is CC(Oc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole?
The InChIKey is YGIBFXGLELLTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O/c1-12(21-16(23)10-25-11-17(21)24)29-14-6-7-19-15(9-14)22(28-27-19)20-8-13-4-2-3-5-18(13)26-20/h2-12,26H,1H3,(H,27,28).
What are the key properties of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole?
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole has a molecular weight of 423.30 g/mol, XLogP of 6.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole is sourced from PubChem (CID 137133122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).