(4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone

C14H14F2N4O — CID 110090789

IUPAC(4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-n2cccn2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H14F2N4O/c15-14(16)4-8-19(9-5-14)13(21)11-2-3-12(17-10-11)20-7-1-6-18-20/h1-3,6-7,10H,4-5,8-9H2
InChIKeyQEKUJQJQIHHBOK-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.14
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone

(4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone (PubChem CID 110090789) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
PubChem CID110090789
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name(4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-n2cccn2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H14F2N4O/c15-14(16)4-8-19(9-5-14)13(21)11-2-3-12(17-10-11)20-7-1-6-18-20/h1-3,6-7,10H,4-5,8-9H2
InChIKeyQEKUJQJQIHHBOK-UHFFFAOYSA-N
XLogP2.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125003277
(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 139027277
N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 55924538
(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 53014451
[6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 168987901
(5S)-3-(2-phenylethyl)-7-(6-pyrazol-1-ylpyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125004380
(4,4-difluoropiperidin-1-yl)-[6-(5-methoxyindazol-2-yl)-3-pyridinyl]methanone
CID 168987929
N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3758867
[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125013420
[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 127246620
[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 124976602
(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone
CID 123839744

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone (CID 110090789) is (4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone is O=C(c1ccc(-n2cccn2)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The InChIKey is QEKUJQJQIHHBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c15-14(16)4-8-19(9-5-14)13(21)11-2-3-12(17-10-11)20-7-1-6-18-20/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone?
(4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone has a molecular weight of 292.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 110090789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).