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

C25H23FN6O2 — CID 118725613

IUPAC4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)c(F)c1
InChIInChI=1S/C25H23FN6O2/c26-18-10-15(24(27)33)1-3-16(18)14-2-4-19-17(9-14)23(32-31-19)20-11-29-13-22(30-20)34-21-12-28-8-7-25(21)5-6-25/h1-4,9-11,13,21,28H,5-8,12H2,(H2,27,33)(H,31,32)/t21-/m0/s1
InChIKeyPXZVRKSGUYKVGK-NRFANRHFSA-N
MW458.50 g/mol
LogP3.45
Rot. Bonds5

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

4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorobenzamide (PubChem CID 118725613) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorobenzamide
PubChem CID118725613
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)c(F)c1
InChIInChI=1S/C25H23FN6O2/c26-18-10-15(24(27)33)1-3-16(18)14-2-4-19-17(9-14)23(32-31-19)20-11-29-13-22(30-20)34-21-12-28-8-7-25(21)5-6-25/h1-4,9-11,13,21,28H,5-8,12H2,(H2,27,33)(H,31,32)/t21-/m0/s1
InChIKeyPXZVRKSGUYKVGK-NRFANRHFSA-N
XLogP3.45
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorobenzamide?
The IUPAC name of 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorobenzamide (CID 118725613) is 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorobenzamide.
What is the SMILES notation for 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorobenzamide?
The canonical SMILES for 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorobenzamide is NC(=O)c1ccc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)c(F)c1.
What is the InChIKey of 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorobenzamide?
The InChIKey is PXZVRKSGUYKVGK-NRFANRHFSA-N. The full InChI is InChI=1S/C25H23FN6O2/c26-18-10-15(24(27)33)1-3-16(18)14-2-4-19-17(9-14)23(32-31-19)20-11-29-13-22(30-20)34-21-12-28-8-7-25(21)5-6-25/h1-4,9-11,13,21,28H,5-8,12H2,(H2,27,33)(H,31,32)/t21-/m0/s1.
What are the key properties of 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorobenzamide?
4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorobenzamide has a molecular weight of 458.50 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorobenzamide is sourced from PubChem (CID 118725613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).