5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile

C24H25FN6O — CID 138550390

IUPAC5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
SMILESCc1nc(N2CC[C@@H](O)[C@@H](F)C2)cc(-n2ncc3ccc(C4(C#N)CC5(CC5)C4)cc32)n1
InChIInChI=1S/C24H25FN6O/c1-15-28-21(30-7-4-20(32)18(25)11-30)9-22(29-15)31-19-8-17(3-2-16(19)10-27-31)24(14-26)12-23(13-24)5-6-23/h2-3,8-10,18,20,32H,4-7,11-13H2,1H3/t18-,20+/m0/s1
InChIKeyBAOWWPNZAZFSJP-AZUAARDMSA-N
MW432.50 g/mol
LogP3.37
Rot. Bonds3

About 5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile

5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile (PubChem CID 138550390) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile.

Molecular Properties

Compound Name5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
PubChem CID138550390
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
SMILESCc1nc(N2CC[C@@H](O)[C@@H](F)C2)cc(-n2ncc3ccc(C4(C#N)CC5(CC5)C4)cc32)n1
InChIInChI=1S/C24H25FN6O/c1-15-28-21(30-7-4-20(32)18(25)11-30)9-22(29-15)31-19-8-17(3-2-16(19)10-27-31)24(14-26)12-23(13-24)5-6-23/h2-3,8-10,18,20,32H,4-7,11-13H2,1H3/t18-,20+/m0/s1
InChIKeyBAOWWPNZAZFSJP-AZUAARDMSA-N
XLogP3.37
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
The IUPAC name of 5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile (CID 138550390) is 5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile.
What is the SMILES notation for 5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
The canonical SMILES for 5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile is Cc1nc(N2CC[C@@H](O)[C@@H](F)C2)cc(-n2ncc3ccc(C4(C#N)CC5(CC5)C4)cc32)n1.
What is the InChIKey of 5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
The InChIKey is BAOWWPNZAZFSJP-AZUAARDMSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-15-28-21(30-7-4-20(32)18(25)11-30)9-22(29-15)31-19-8-17(3-2-16(19)10-27-31)24(14-26)12-23(13-24)5-6-23/h2-3,8-10,18,20,32H,4-7,11-13H2,1H3/t18-,20+/m0/s1.
What are the key properties of 5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile has a molecular weight of 432.50 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile is sourced from PubChem (CID 138550390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).