5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C24H21N5O2 — CID 164586956

IUPAC5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCCC2Oc1ccc2cnn(-c3cnn(C4COC4)c3)c2c1
InChIInChI=1S/C24H21N5O2/c25-10-16-4-7-22-17(8-16)2-1-3-24(22)31-21-6-5-18-11-27-29(23(18)9-21)19-12-26-28(13-19)20-14-30-15-20/h4-9,11-13,20,24H,1-3,14-15H2
InChIKeyYECMOKKHSXQTRG-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.12
Rot. Bonds4

About 5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 164586956) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID164586956
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCCC2Oc1ccc2cnn(-c3cnn(C4COC4)c3)c2c1
InChIInChI=1S/C24H21N5O2/c25-10-16-4-7-22-17(8-16)2-1-3-24(22)31-21-6-5-18-11-27-29(23(18)9-21)19-12-26-28(13-19)20-14-30-15-20/h4-9,11-13,20,24H,1-3,14-15H2
InChIKeyYECMOKKHSXQTRG-UHFFFAOYSA-N
XLogP4.12
TPSA77.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 164586956) is 5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CCCC2Oc1ccc2cnn(-c3cnn(C4COC4)c3)c2c1.
What is the InChIKey of 5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is YECMOKKHSXQTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c25-10-16-4-7-22-17(8-16)2-1-3-24(22)31-21-6-5-18-11-27-29(23(18)9-21)19-12-26-28(13-19)20-14-30-15-20/h4-9,11-13,20,24H,1-3,14-15H2.
What are the key properties of 5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 411.47 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 164586956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).