1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile

C18H16N4O — CID 22479759

IUPAC1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(-c1cccnc1)nn2C1CCCCO1
InChIInChI=1S/C18H16N4O/c19-11-13-6-7-16-15(10-13)18(14-4-3-8-20-12-14)21-22(16)17-5-1-2-9-23-17/h3-4,6-8,10,12,17H,1-2,5,9H2
InChIKeyGPLMEOBLJZQXQX-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.67
Rot. Bonds2

About 1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile

1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile (PubChem CID 22479759) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile.

Molecular Properties

Compound Name1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile
PubChem CID22479759
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(-c1cccnc1)nn2C1CCCCO1
InChIInChI=1S/C18H16N4O/c19-11-13-6-7-16-15(10-13)18(14-4-3-8-20-12-14)21-22(16)17-5-1-2-9-23-17/h3-4,6-8,10,12,17H,1-2,5,9H2
InChIKeyGPLMEOBLJZQXQX-UHFFFAOYSA-N
XLogP3.67
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-methylpropoxy)phenyl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480050
1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile
CID 68908077
N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide
CID 87828255
1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine
CID 146944332
1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile
CID 68905849
1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid
CID 86679701
3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 68907708
3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethynyl)indazole
CID 22480208
3-cyclopenta-1,2,4-trien-1-yl-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine
CID 89405242
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
3-[6-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 68904120
3-[6-[3-(2,6-dimethylpiperidin-1-yl)propoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 68906154

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile?
The IUPAC name of 1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile (CID 22479759) is 1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile.
What is the SMILES notation for 1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile?
The canonical SMILES for 1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile is N#Cc1ccc2c(c1)c(-c1cccnc1)nn2C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile?
The InChIKey is GPLMEOBLJZQXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c19-11-13-6-7-16-15(10-13)18(14-4-3-8-20-12-14)21-22(16)17-5-1-2-9-23-17/h3-4,6-8,10,12,17H,1-2,5,9H2.
What are the key properties of 1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile?
1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile is sourced from PubChem (CID 22479759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).