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

C22H25N5O — CID 67959697

IUPAC3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole
SMILESCC1(c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)CC1
InChIInChI=1S/C22H25N5O/c1-21(4-5-21)14-2-3-16-15(10-14)20(27-26-16)17-11-24-13-19(25-17)28-18-12-23-9-8-22(18)6-7-22/h2-3,10-11,13,18,23H,4-9,12H2,1H3,(H,26,27)/t18-/m0/s1
InChIKeyRYTASXNMPROXQR-SFHVURJKSA-N
MW375.48 g/mol
LogP3.59
Rot. Bonds4

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

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole (PubChem CID 67959697) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole.

Molecular Properties

Compound Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole
PubChem CID67959697
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole
SMILESCC1(c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)CC1
InChIInChI=1S/C22H25N5O/c1-21(4-5-21)14-2-3-16-15(10-14)20(27-26-16)17-11-24-13-19(25-17)28-18-12-23-9-8-22(18)6-7-22/h2-3,10-11,13,18,23H,4-9,12H2,1H3,(H,26,27)/t18-/m0/s1
InChIKeyRYTASXNMPROXQR-SFHVURJKSA-N
XLogP3.59
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(1-methylcyclopropyl)-1H-indazole?
The IUPAC name of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole (CID 67959697) is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole.
What is the SMILES notation for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole?
The canonical SMILES for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole is CC1(c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)CC1.
What is the InChIKey of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole?
The InChIKey is RYTASXNMPROXQR-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N5O/c1-21(4-5-21)14-2-3-16-15(10-14)20(27-26-16)17-11-24-13-19(25-17)28-18-12-23-9-8-22(18)6-7-22/h2-3,10-11,13,18,23H,4-9,12H2,1H3,(H,26,27)/t18-/m0/s1.
What are the key properties of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole?
3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole has a molecular weight of 375.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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-(1-methylcyclopropyl)-1H-indazole is sourced from PubChem (CID 67959697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).