3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole

C22H23N7O — CID 67959952

IUPAC3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole
SMILESCn1cncc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1
InChIInChI=1S/C22H23N7O/c1-29-13-25-10-18(29)14-2-3-16-15(8-14)21(28-27-16)17-9-24-12-20(26-17)30-19-11-23-7-6-22(19)4-5-22/h2-3,8-10,12-13,19,23H,4-7,11H2,1H3,(H,27,28)/t19-/m0/s1
InChIKeyRQILRUHUVGWBAL-IBGZPJMESA-N
MW401.47 g/mol
LogP2.94
Rot. Bonds4

About 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole (PubChem CID 67959952) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole
PubChem CID67959952
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole
SMILESCn1cncc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1
InChIInChI=1S/C22H23N7O/c1-29-13-25-10-18(29)14-2-3-16-15(8-14)21(28-27-16)17-9-24-12-20(26-17)30-19-11-23-7-6-22(19)4-5-22/h2-3,8-10,12-13,19,23H,4-7,11H2,1H3,(H,27,28)/t19-/m0/s1
InChIKeyRQILRUHUVGWBAL-IBGZPJMESA-N
XLogP2.94
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole?
The IUPAC name of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole (CID 67959952) is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole.
What is the SMILES notation for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole?
The canonical SMILES for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole is Cn1cncc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.
What is the InChIKey of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole?
The InChIKey is RQILRUHUVGWBAL-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N7O/c1-29-13-25-10-18(29)14-2-3-16-15(8-14)21(28-27-16)17-9-24-12-20(26-17)30-19-11-23-7-6-22(19)4-5-22/h2-3,8-10,12-13,19,23H,4-7,11H2,1H3,(H,27,28)/t19-/m0/s1.
What are the key properties of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole?
3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole has a molecular weight of 401.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole is sourced from PubChem (CID 67959952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).