1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile

C30H26N4O2 — CID 68905849

IUPAC1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(-c1ccc3cc(OCCc4ccccn4)ccc3c1)nn2C1CCCCO1
InChIInChI=1S/C30H26N4O2/c31-20-21-7-12-28-27(17-21)30(33-34(28)29-6-2-4-15-36-29)24-9-8-23-19-26(11-10-22(23)18-24)35-16-13-25-5-1-3-14-32-25/h1,3,5,7-12,14,17-19,29H,2,4,6,13,15-16H2
InChIKeyAXJCEJOCMVOBKP-UHFFFAOYSA-N
MW474.56 g/mol
LogP6.44
Rot. Bonds6

About 1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile

1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile (PubChem CID 68905849) has the molecular formula C30H26N4O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile.

Molecular Properties

Compound Name1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile
PubChem CID68905849
Molecular FormulaC30H26N4O2
Molecular Weight474.56 g/mol
Exact Mass474.21
IUPAC Name1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(-c1ccc3cc(OCCc4ccccn4)ccc3c1)nn2C1CCCCO1
InChIInChI=1S/C30H26N4O2/c31-20-21-7-12-28-27(17-21)30(33-34(28)29-6-2-4-15-36-29)24-9-8-23-19-26(11-10-22(23)18-24)35-16-13-25-5-1-3-14-32-25/h1,3,5,7-12,14,17-19,29H,2,4,6,13,15-16H2
InChIKeyAXJCEJOCMVOBKP-UHFFFAOYSA-N
XLogP6.44
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[3-(2,6-dimethylpiperidin-1-yl)propoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 68906154
3-[7-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 68909557
3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 68907708
3-[6-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 68904120
3-[4-(2-methylpropoxy)phenyl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480050
3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480117
1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile
CID 22479759
N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide
CID 87828255
3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethynyl)indazole
CID 22480208
5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166727900
[3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-1-[(2S)-oxan-2-yl]indazol-5-yl]-pyrrolidin-1-ylmethanone
CID 68903817
1-(oxan-2-yl)-5-(2-prop-2-enoxyethoxy)-3-(1-prop-2-enylpyrazol-4-yl)indazole
CID 165127830

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile?
The IUPAC name of 1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile (CID 68905849) is 1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile.
What is the SMILES notation for 1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile?
The canonical SMILES for 1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile is N#Cc1ccc2c(c1)c(-c1ccc3cc(OCCc4ccccn4)ccc3c1)nn2C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile?
The InChIKey is AXJCEJOCMVOBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2/c31-20-21-7-12-28-27(17-21)30(33-34(28)29-6-2-4-15-36-29)24-9-8-23-19-26(11-10-22(23)18-24)35-16-13-25-5-1-3-14-32-25/h1,3,5,7-12,14,17-19,29H,2,4,6,13,15-16H2.
What are the key properties of 1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile?
1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile has a molecular weight of 474.56 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile is sourced from PubChem (CID 68905849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).