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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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).