2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

C19H15FN4 — CID 142556867

IUPAC2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCc1cc(-n2ncc3ccc(C4(C#N)CC45CC5)cc32)cc(F)n1
InChIInChI=1S/C19H15FN4/c1-12-6-15(8-17(20)23-12)24-16-7-14(3-2-13(16)9-22-24)19(11-21)10-18(19)4-5-18/h2-3,6-9H,4-5,10H2,1H3
InChIKeySTFBQFFDQNCERN-UHFFFAOYSA-N
MW318.36 g/mol
LogP3.81
Rot. Bonds2

About 2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (PubChem CID 142556867) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.

Molecular Properties

Compound Name2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
PubChem CID142556867
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC Name2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCc1cc(-n2ncc3ccc(C4(C#N)CC45CC5)cc32)cc(F)n1
InChIInChI=1S/C19H15FN4/c1-12-6-15(8-17(20)23-12)24-16-7-14(3-2-13(16)9-22-24)19(11-21)10-18(19)4-5-18/h2-3,6-9H,4-5,10H2,1H3
InChIKeySTFBQFFDQNCERN-UHFFFAOYSA-N
XLogP3.81
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile
CID 138550127
2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 142556899
(2R)-2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 175911550
(2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 156518851
(2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 156519014
2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138544226
2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138544336
(2S)-2-[1-[6-[(2R,3S)-3-(2-hydroxypropan-2-yl)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138550516
(2R)-2-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylsulfanylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 175911545
(2S)-2-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methoxypyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138550530
(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 2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The IUPAC name of 2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (CID 142556867) is 2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.
What is the SMILES notation for 2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The canonical SMILES for 2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is Cc1cc(-n2ncc3ccc(C4(C#N)CC45CC5)cc32)cc(F)n1.
What is the InChIKey of 2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The InChIKey is STFBQFFDQNCERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4/c1-12-6-15(8-17(20)23-12)24-16-7-14(3-2-13(16)9-22-24)19(11-21)10-18(19)4-5-18/h2-3,6-9H,4-5,10H2,1H3.
What are the key properties of 2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile has a molecular weight of 318.36 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is sourced from PubChem (CID 142556867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).