4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one

C18H19F2N5O2 — CID 118450542

IUPAC4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)N3CC(F)(F)C3)CC2=O)c1
InChIInChI=1S/C18H19F2N5O2/c1-12-7-22-25(9-12)14-2-4-21-8-15(14)24-5-3-13(6-16(24)26)17(27)23-10-18(19,20)11-23/h2,4,7-9,13H,3,5-6,10-11H2,1H3
InChIKeySTBCHSPRZLDZIT-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.80
Rot. Bonds3

About 4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one

4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one (PubChem CID 118450542) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is 4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one.

Molecular Properties

Compound Name4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one
PubChem CID118450542
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC Name4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)N3CC(F)(F)C3)CC2=O)c1
InChIInChI=1S/C18H19F2N5O2/c1-12-7-22-25(9-12)14-2-4-21-8-15(14)24-5-3-13(6-16(24)26)17(27)23-10-18(19,20)11-23/h2,4,7-9,13H,3,5-6,10-11H2,1H3
InChIKeySTBCHSPRZLDZIT-UHFFFAOYSA-N
XLogP1.80
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one with MolForge

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Related Compounds

3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
CID 118450421
(3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone
CID 118450651
8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118450446
N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 129066111
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 118450442
3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 155975805
1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide
CID 118450678
4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 131902488
methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693768
1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
CID 118450532
[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 90205765
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 118450454

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one?
The IUPAC name of 4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one (CID 118450542) is 4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one.
What is the SMILES notation for 4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one?
The canonical SMILES for 4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one is Cc1cnn(-c2ccncc2N2CCC(C(=O)N3CC(F)(F)C3)CC2=O)c1.
What is the InChIKey of 4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one?
The InChIKey is STBCHSPRZLDZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c1-12-7-22-25(9-12)14-2-4-21-8-15(14)24-5-3-13(6-16(24)26)17(27)23-10-18(19,20)11-23/h2,4,7-9,13H,3,5-6,10-11H2,1H3.
What are the key properties of 4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one?
4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one has a molecular weight of 375.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one is sourced from PubChem (CID 118450542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).