5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile

C25H26N6O — CID 155557829

IUPAC5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
SMILESCC1(O)CC2(CN(c3cc(-n4ncc5ccc(C6(C#N)CC7(CC7)C6)cc54)ncn3)C2)C1
InChIInChI=1S/C25H26N6O/c1-22(32)9-24(10-22)14-30(15-24)20-7-21(28-16-27-20)31-19-6-18(3-2-17(19)8-29-31)25(13-26)11-23(12-25)4-5-23/h2-3,6-8,16,32H,4-5,9-12,14-15H2,1H3
InChIKeyOVNSXRHYOAETQS-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.50
Rot. Bonds3

About 5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile

5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile (PubChem CID 155557829) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile.

Molecular Properties

Compound Name5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
PubChem CID155557829
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
SMILESCC1(O)CC2(CN(c3cc(-n4ncc5ccc(C6(C#N)CC7(CC7)C6)cc54)ncn3)C2)C1
InChIInChI=1S/C25H26N6O/c1-22(32)9-24(10-22)14-30(15-24)20-7-21(28-16-27-20)31-19-6-18(3-2-17(19)8-29-31)25(13-26)11-23(12-25)4-5-23/h2-3,6-8,16,32H,4-5,9-12,14-15H2,1H3
InChIKeyOVNSXRHYOAETQS-UHFFFAOYSA-N
XLogP3.50
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
The IUPAC name of 5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile (CID 155557829) is 5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile.
What is the SMILES notation for 5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
The canonical SMILES for 5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile is CC1(O)CC2(CN(c3cc(-n4ncc5ccc(C6(C#N)CC7(CC7)C6)cc54)ncn3)C2)C1.
What is the InChIKey of 5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
The InChIKey is OVNSXRHYOAETQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-22(32)9-24(10-22)14-30(15-24)20-7-21(28-16-27-20)31-19-6-18(3-2-17(19)8-29-31)25(13-26)11-23(12-25)4-5-23/h2-3,6-8,16,32H,4-5,9-12,14-15H2,1H3.
What are the key properties of 5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile has a molecular weight of 426.52 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile is sourced from PubChem (CID 155557829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).