(5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone

C14H15FN4O — CID 154583688

IUPAC(5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone
SMILESCc1cnn(CC2CN(C(=O)c3cncc(F)c3)C2)c1
InChIInChI=1S/C14H15FN4O/c1-10-3-17-19(6-10)9-11-7-18(8-11)14(20)12-2-13(15)5-16-4-12/h2-6,11H,7-9H2,1H3
InChIKeyAZTTXMXINMVUEE-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.50
Rot. Bonds3

About (5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone

(5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone (PubChem CID 154583688) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone
PubChem CID154583688
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name(5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone
SMILESCc1cnn(CC2CN(C(=O)c3cncc(F)c3)C2)c1
InChIInChI=1S/C14H15FN4O/c1-10-3-17-19(6-10)9-11-7-18(8-11)14(20)12-2-13(15)5-16-4-12/h2-6,11H,7-9H2,1H3
InChIKeyAZTTXMXINMVUEE-UHFFFAOYSA-N
XLogP1.50
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione
CID 126851202
2-(2-bromo-4-fluorophenyl)-1-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]ethanone
CID 154583786
[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone
CID 154583687
(5-fluoro-3-pyridinyl)-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 135120323
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 102978428
(3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983967
[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736655
methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate
CID 115694818
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone;dihydrochloride
CID 120727478
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528
(5-fluoro-3-pyridinyl)-[4-(propan-2-yloxymethyl)piperidin-1-yl]methanone
CID 118790419
(5-fluoro-3-pyridinyl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone
CID 124574317

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone?
The IUPAC name of (5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone (CID 154583688) is (5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone is Cc1cnn(CC2CN(C(=O)c3cncc(F)c3)C2)c1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone?
The InChIKey is AZTTXMXINMVUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-10-3-17-19(6-10)9-11-7-18(8-11)14(20)12-2-13(15)5-16-4-12/h2-6,11H,7-9H2,1H3.
What are the key properties of (5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone?
(5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone has a molecular weight of 274.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone is sourced from PubChem (CID 154583688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).