3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile

C20H20N4O2 — CID 22480066

IUPAC3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile
SMILESN#Cc1ccc2[nH]nc(-c3ccc(OCCN4CCOCC4)cc3)c2c1
InChIInChI=1S/C20H20N4O2/c21-14-15-1-6-19-18(13-15)20(23-22-19)16-2-4-17(5-3-16)26-12-9-24-7-10-25-11-8-24/h1-6,13H,7-12H2,(H,22,23)
InChIKeyGHGNFEUQRRRGNQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.81
Rot. Bonds5

About 3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile

3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile (PubChem CID 22480066) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile.

Molecular Properties

Compound Name3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile
PubChem CID22480066
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile
SMILESN#Cc1ccc2[nH]nc(-c3ccc(OCCN4CCOCC4)cc3)c2c1
InChIInChI=1S/C20H20N4O2/c21-14-15-1-6-19-18(13-15)20(23-22-19)16-2-4-17(5-3-16)26-12-9-24-7-10-25-11-8-24/h1-6,13H,7-12H2,(H,22,23)
InChIKeyGHGNFEUQRRRGNQ-UHFFFAOYSA-N
XLogP2.81
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile?
The IUPAC name of 3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile (CID 22480066) is 3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile.
What is the SMILES notation for 3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile?
The canonical SMILES for 3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile is N#Cc1ccc2[nH]nc(-c3ccc(OCCN4CCOCC4)cc3)c2c1.
What is the InChIKey of 3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile?
The InChIKey is GHGNFEUQRRRGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-14-15-1-6-19-18(13-15)20(23-22-19)16-2-4-17(5-3-16)26-12-9-24-7-10-25-11-8-24/h1-6,13H,7-12H2,(H,22,23).
What are the key properties of 3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile?
3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile has a molecular weight of 348.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile is sourced from PubChem (CID 22480066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).