3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-yl)-1H-indazole

C22H23N7O — CID 123471323

IUPAC3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-yl)-1H-indazole
SMILESCn1nccc1-c1ccc2[nH]nc(-c3cncc(OC4CNCCC45CC5)n3)c2c1
InChIInChI=1S/C22H23N7O/c1-29-18(4-8-25-29)14-2-3-16-15(10-14)21(28-27-16)17-11-24-13-20(26-17)30-19-12-23-9-7-22(19)5-6-22/h2-4,8,10-11,13,19,23H,5-7,9,12H2,1H3,(H,27,28)
InChIKeyADAQMHDISHOVAO-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.94
Rot. Bonds4

About 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-yl)-1H-indazole

3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-yl)-1H-indazole (PubChem CID 123471323) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-yl)-1H-indazole.

Molecular Properties

Compound Name3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-yl)-1H-indazole
PubChem CID123471323
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-yl)-1H-indazole
SMILESCn1nccc1-c1ccc2[nH]nc(-c3cncc(OC4CNCCC45CC5)n3)c2c1
InChIInChI=1S/C22H23N7O/c1-29-18(4-8-25-29)14-2-3-16-15(10-14)21(28-27-16)17-11-24-13-20(26-17)30-19-12-23-9-7-22(19)5-6-22/h2-4,8,10-11,13,19,23H,5-7,9,12H2,1H3,(H,27,28)
InChIKeyADAQMHDISHOVAO-UHFFFAOYSA-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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Related Compounds

3-{6-[(4r)-6-Azaspiro[2.5]oct-4-Yloxy]pyrazin-2-Yl}-5-(2,6-Difluorophenyl)-1h-Indazole
CID 67960061
(R)-5-(2,6-difluorophenyl)-3-(6-(piperidin-3-yloxy)pyrazin-2-yl)-1H-indole
CID 67959860
3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2,6-difluorophenyl)-1H-indazole
CID 67960181
(R)-3-(6-(6-Azaspiro[2.5]octan-4-yloxy)pyrazin-2-yl)-5-(2-fluorophenyl)-1H-indazole
CID 118725604
4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluoroaniline
CID 118725611
4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorobenzamide
CID 118725613
N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide
CID 118725615
5-(2,6-difluorophenyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67959600
3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(3-methylimidazol-4-yl)-1H-indazole
CID 67959952
5-(2,6-difluorophenyl)-3-(6-piperidin-4-yloxypyrazin-2-yl)-1H-indazole
CID 67960161
3-[6-[[(8S)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2,6-difluorophenyl)-1H-indazole
CID 118725603
5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole
CID 162659271

Frequently Asked Questions

What is the IUPAC name of 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-yl)-1H-indazole?
The IUPAC name of 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-yl)-1H-indazole (CID 123471323) is 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-yl)-1H-indazole.
What is the SMILES notation for 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-yl)-1H-indazole?
The canonical SMILES for 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-yl)-1H-indazole is Cn1nccc1-c1ccc2[nH]nc(-c3cncc(OC4CNCCC45CC5)n3)c2c1.
What is the InChIKey of 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-yl)-1H-indazole?
The InChIKey is ADAQMHDISHOVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-29-18(4-8-25-29)14-2-3-16-15(10-14)21(28-27-16)17-11-24-13-20(26-17)30-19-12-23-9-7-22(19)5-6-22/h2-4,8,10-11,13,19,23H,5-7,9,12H2,1H3,(H,27,28).
What are the key properties of 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-yl)-1H-indazole?
3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-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-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2-methylpyrazol-3-yl)-1H-indazole is sourced from PubChem (CID 123471323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).