1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile

C18H15FN4 — CID 138550127

IUPAC1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile
SMILESCc1cc(-n2ncc3ccc(C4(C#N)CCC4)cc32)cc(F)n1
InChIInChI=1S/C18H15FN4/c1-12-7-15(9-17(19)22-12)23-16-8-14(4-3-13(16)10-21-23)18(11-20)5-2-6-18/h3-4,7-10H,2,5-6H2,1H3
InChIKeyASRMELKQCWEVCV-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.81
Rot. Bonds2

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

1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile (PubChem CID 138550127) has the molecular formula C18H15FN4 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile
PubChem CID138550127
Molecular FormulaC18H15FN4
Molecular Weight306.34 g/mol
Exact Mass306.13
IUPAC Name1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile
SMILESCc1cc(-n2ncc3ccc(C4(C#N)CCC4)cc32)cc(F)n1
InChIInChI=1S/C18H15FN4/c1-12-7-15(9-17(19)22-12)23-16-8-14(4-3-13(16)10-21-23)18(11-20)5-2-6-18/h3-4,7-10H,2,5-6H2,1H3
InChIKeyASRMELKQCWEVCV-UHFFFAOYSA-N
XLogP3.81
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
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

2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 142556867
5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138550732
1-[1-[6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]cyclobutane-1-carbonitrile
CID 138550588
2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol
CID 138550436
(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
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
1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile
CID 118664991
(2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 156518851
ethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile
CID 155727464
1-[3-ethyl-1-(4-fluorophenyl)indazol-6-yl]cyclohexane-1-carbonitrile
CID 141009900
1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole
CID 156518949
5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 163646776

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile (CID 138550127) is 1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile is Cc1cc(-n2ncc3ccc(C4(C#N)CCC4)cc32)cc(F)n1.
What is the InChIKey of 1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile?
The InChIKey is ASRMELKQCWEVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4/c1-12-7-15(9-17(19)22-12)23-16-8-14(4-3-13(16)10-21-23)18(11-20)5-2-6-18/h3-4,7-10H,2,5-6H2,1H3.
What are the key properties of 1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile?
1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile has a molecular weight of 306.34 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 1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 138550127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).