5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile

C24H25FN6 — CID 138550732

IUPAC5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
SMILESCc1nc(N2CCCC(F)C2)cc(-n2ncc3ccc(C4(C#N)CC5(CC5)C4)cc32)n1
InChIInChI=1S/C24H25FN6/c1-16-28-21(30-8-2-3-19(25)12-30)10-22(29-16)31-20-9-18(5-4-17(20)11-27-31)24(15-26)13-23(14-24)6-7-23/h4-5,9-11,19H,2-3,6-8,12-14H2,1H3
InChIKeyWNQKQOHEHDLAKG-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.40
Rot. Bonds3

About 5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile

5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile (PubChem CID 138550732) has the molecular formula C24H25FN6 and a molecular weight of 416.50 g/mol. Its IUPAC name is 5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile.

Molecular Properties

Compound Name5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
PubChem CID138550732
Molecular FormulaC24H25FN6
Molecular Weight416.50 g/mol
Exact Mass416.21
IUPAC Name5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
SMILESCc1nc(N2CCCC(F)C2)cc(-n2ncc3ccc(C4(C#N)CC5(CC5)C4)cc32)n1
InChIInChI=1S/C24H25FN6/c1-16-28-21(30-8-2-3-19(25)12-30)10-22(29-16)31-20-9-18(5-4-17(20)11-27-31)24(15-26)13-23(14-24)6-7-23/h4-5,9-11,19H,2-3,6-8,12-14H2,1H3
InChIKeyWNQKQOHEHDLAKG-UHFFFAOYSA-N
XLogP4.40
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
The IUPAC name of 5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile (CID 138550732) is 5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile.
What is the SMILES notation for 5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
The canonical SMILES for 5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile is Cc1nc(N2CCCC(F)C2)cc(-n2ncc3ccc(C4(C#N)CC5(CC5)C4)cc32)n1.
What is the InChIKey of 5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
The InChIKey is WNQKQOHEHDLAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6/c1-16-28-21(30-8-2-3-19(25)12-30)10-22(29-16)31-20-9-18(5-4-17(20)11-27-31)24(15-26)13-23(14-24)6-7-23/h4-5,9-11,19H,2-3,6-8,12-14H2,1H3.
What are the key properties of 5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile has a molecular weight of 416.50 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile is sourced from PubChem (CID 138550732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).