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

C25H25N7O — CID 67959806

IUPAC3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole
SMILESc1cc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2cc1-c1cncc(C2CC2)n1
InChIInChI=1S/C25H25N7O/c1-2-15(1)19-10-27-11-20(29-19)16-3-4-18-17(9-16)24(32-31-18)21-12-28-14-23(30-21)33-22-13-26-8-7-25(22)5-6-25/h3-4,9-12,14-15,22,26H,1-2,5-8,13H2,(H,31,32)/t22-/m0/s1
InChIKeyRXPLSMWXXXTLQI-QFIPXVFZSA-N
MW439.52 g/mol
LogP3.88
Rot. Bonds5

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

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole (PubChem CID 67959806) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole.

Molecular Properties

Compound Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole
PubChem CID67959806
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole
SMILESc1cc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2cc1-c1cncc(C2CC2)n1
InChIInChI=1S/C25H25N7O/c1-2-15(1)19-10-27-11-20(29-19)16-3-4-18-17(9-16)24(32-31-18)21-12-28-14-23(30-21)33-22-13-26-8-7-25(22)5-6-25/h3-4,9-12,14-15,22,26H,1-2,5-8,13H2,(H,31,32)/t22-/m0/s1
InChIKeyRXPLSMWXXXTLQI-QFIPXVFZSA-N
XLogP3.88
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.88
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-(6-cyclopropylpyrazin-2-yl)-1H-indazole?
The IUPAC name of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole (CID 67959806) is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole.
What is the SMILES notation for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole?
The canonical SMILES for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole is c1cc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2cc1-c1cncc(C2CC2)n1.
What is the InChIKey of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole?
The InChIKey is RXPLSMWXXXTLQI-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H25N7O/c1-2-15(1)19-10-27-11-20(29-19)16-3-4-18-17(9-16)24(32-31-18)21-12-28-14-23(30-21)33-22-13-26-8-7-25(22)5-6-25/h3-4,9-12,14-15,22,26H,1-2,5-8,13H2,(H,31,32)/t22-/m0/s1.
What are the key properties of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole?
3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole has a molecular weight of 439.52 g/mol, XLogP of 3.88, 5 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-(6-cyclopropylpyrazin-2-yl)-1H-indazole is sourced from PubChem (CID 67959806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).