8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid

C24H26BrN5O4 — CID 67958376

IUPAC8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid
SMILESO=C(O)N1CCC2(CC2)C(Oc2cncc(-c3nn(C4CCCCO4)c4ccc(Br)cc34)n2)C1
InChIInChI=1S/C24H26BrN5O4/c25-15-4-5-18-16(11-15)22(28-30(18)21-3-1-2-10-33-21)17-12-26-13-20(27-17)34-19-14-29(23(31)32)9-8-24(19)6-7-24/h4-5,11-13,19,21H,1-3,6-10,14H2,(H,31,32)
InChIKeyLDVOVYYQQDIBII-UHFFFAOYSA-N
MW528.41 g/mol
LogP4.87
Rot. Bonds4

About 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid

8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid (PubChem CID 67958376) has the molecular formula C24H26BrN5O4 and a molecular weight of 528.41 g/mol. Its IUPAC name is 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid.

Molecular Properties

Compound Name8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid
PubChem CID67958376
Molecular FormulaC24H26BrN5O4
Molecular Weight528.41 g/mol
Exact Mass527.12
IUPAC Name8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid
SMILESO=C(O)N1CCC2(CC2)C(Oc2cncc(-c3nn(C4CCCCO4)c4ccc(Br)cc34)n2)C1
InChIInChI=1S/C24H26BrN5O4/c25-15-4-5-18-16(11-15)22(28-30(18)21-3-1-2-10-33-21)17-12-26-13-20(27-17)34-19-14-29(23(31)32)9-8-24(19)6-7-24/h4-5,11-13,19,21H,1-3,6-10,14H2,(H,31,32)
InChIKeyLDVOVYYQQDIBII-UHFFFAOYSA-N
XLogP4.87
TPSA102.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid?
The IUPAC name of 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid (CID 67958376) is 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid.
What is the SMILES notation for 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid?
The canonical SMILES for 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid is O=C(O)N1CCC2(CC2)C(Oc2cncc(-c3nn(C4CCCCO4)c4ccc(Br)cc34)n2)C1.
What is the InChIKey of 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid?
The InChIKey is LDVOVYYQQDIBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN5O4/c25-15-4-5-18-16(11-15)22(28-30(18)21-3-1-2-10-33-21)17-12-26-13-20(27-17)34-19-14-29(23(31)32)9-8-24(19)6-7-24/h4-5,11-13,19,21H,1-3,6-10,14H2,(H,31,32).
What are the key properties of 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid?
8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid has a molecular weight of 528.41 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylic acid is sourced from PubChem (CID 67958376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).