2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol

C22H27N5O2 — CID 67959631

IUPAC2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol
SMILESCC(CO)c1ccc2c(c1)c(-c1cncc(O[C@H]3CNCCC34CC4)n1)nn2C
InChIInChI=1S/C22H27N5O2/c1-14(13-28)15-3-4-18-16(9-15)21(26-27(18)2)17-10-24-12-20(25-17)29-19-11-23-8-7-22(19)5-6-22/h3-4,9-10,12,14,19,23,28H,5-8,11,13H2,1-2H3/t14?,19-/m0/s1
InChIKeyQJGLEBPAWQUGGI-PKDNWHCCSA-N
MW393.49 g/mol
LogP2.65
Rot. Bonds5

About 2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol

2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol (PubChem CID 67959631) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol
PubChem CID67959631
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol
SMILESCC(CO)c1ccc2c(c1)c(-c1cncc(O[C@H]3CNCCC34CC4)n1)nn2C
InChIInChI=1S/C22H27N5O2/c1-14(13-28)15-3-4-18-16(9-15)21(26-27(18)2)17-10-24-12-20(25-17)29-19-11-23-8-7-22(19)5-6-22/h3-4,9-10,12,14,19,23,28H,5-8,11,13H2,1-2H3/t14?,19-/m0/s1
InChIKeyQJGLEBPAWQUGGI-PKDNWHCCSA-N
XLogP2.65
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol?
The IUPAC name of 2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol (CID 67959631) is 2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol?
The canonical SMILES for 2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol is CC(CO)c1ccc2c(c1)c(-c1cncc(O[C@H]3CNCCC34CC4)n1)nn2C.
What is the InChIKey of 2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol?
The InChIKey is QJGLEBPAWQUGGI-PKDNWHCCSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-14(13-28)15-3-4-18-16(9-15)21(26-27(18)2)17-10-24-12-20(25-17)29-19-11-23-8-7-22(19)5-6-22/h3-4,9-10,12,14,19,23,28H,5-8,11,13H2,1-2H3/t14?,19-/m0/s1.
What are the key properties of 2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol?
2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol has a molecular weight of 393.49 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1-methylindazol-5-yl]propan-1-ol is sourced from PubChem (CID 67959631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).