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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Related Compounds

5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 163646776
5-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylsulfanylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138544669
5-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylsulfonylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138545371
5-[1-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 166471719
1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile
CID 138550127
1-[1-[6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]cyclobutane-1-carbonitrile
CID 138550588
(2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 156519014
1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile
CID 138550082
(2S)-2-[1-[6-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138550614
6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole
CID 138550143
(2S)-2-[1-[6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 156518841
2-[1-[6-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138544188

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).