(3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C17H19FN4O — CID 154883958

IUPAC(3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCc1cnn(C2CC3CCC(C2)N3C(=O)c2ccncc2F)c1
InChIInChI=1S/C17H19FN4O/c1-11-8-20-21(10-11)14-6-12-2-3-13(7-14)22(12)17(23)15-4-5-19-9-16(15)18/h4-5,8-10,12-14H,2-3,6-7H2,1H3
InChIKeySSBDPXTWFXROSH-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.73
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

(3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 154883958) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID154883958
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name(3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCc1cnn(C2CC3CCC(C2)N3C(=O)c2ccncc2F)c1
InChIInChI=1S/C17H19FN4O/c1-11-8-20-21(10-11)14-6-12-2-3-13(7-14)22(12)17(23)15-4-5-19-9-16(15)18/h4-5,8-10,12-14H,2-3,6-7H2,1H3
InChIKeySSBDPXTWFXROSH-UHFFFAOYSA-N
XLogP2.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone with MolForge

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Related Compounds

(3-fluoro-4-pyridinyl)-[3-(1,2,4-triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 131702939
(3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 154884029
(2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 154884017
(2-ethylsulfanylphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 154583779
(2S)-2-amino-1-(3-fluoroazetidin-1-yl)-2-[8-(3-fluoropyridine-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanone
CID 25232399
N-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide
CID 131656212
(3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 113447198
1-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]pent-4-en-1-one
CID 154831146
[3-(4-chloropyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiophen-2-yl)methanone
CID 139028758
(2S,3aR,7aS)-1-(3-fluoropyridine-4-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124677200
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
1-(3-fluorocyclopentyl)-4-methylpyrazole
CID 84731747

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 154883958) is (3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is Cc1cnn(C2CC3CCC(C2)N3C(=O)c2ccncc2F)c1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is SSBDPXTWFXROSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-11-8-20-21(10-11)14-6-12-2-3-13(7-14)22(12)17(23)15-4-5-19-9-16(15)18/h4-5,8-10,12-14H,2-3,6-7H2,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
(3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 314.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 154883958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).