(5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone

C16H19FN4O2 — CID 126430234

IUPAC(5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1cncc(F)c1)N1CCC[C@@H](c2ccn(CCO)n2)C1
InChIInChI=1S/C16H19FN4O2/c17-14-8-13(9-18-10-14)16(23)20-4-1-2-12(11-20)15-3-5-21(19-15)6-7-22/h3,5,8-10,12,22H,1-2,4,6-7,11H2/t12-/m1/s1
InChIKeyDPPJFXDAIPMAPO-GFCCVEGCSA-N
MW318.35 g/mol
LogP1.43
Rot. Bonds4

About (5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone

(5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone (PubChem CID 126430234) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
PubChem CID126430234
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name(5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1cncc(F)c1)N1CCC[C@@H](c2ccn(CCO)n2)C1
InChIInChI=1S/C16H19FN4O2/c17-14-8-13(9-18-10-14)16(23)20-4-1-2-12(11-20)15-3-5-21(19-15)6-7-22/h3,5,8-10,12,22H,1-2,4,6-7,11H2/t12-/m1/s1
InChIKeyDPPJFXDAIPMAPO-GFCCVEGCSA-N
XLogP1.43
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 126426841
2-(2,4-difluorophenyl)-1-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 119074556
[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 119061089
[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 126427954
[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 119062968
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 102978428
1-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 119064677
1-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 126443917
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528
2-[3-[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126440008
4-[[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]benzoic acid
CID 126443440
N-[2-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 126434627

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone (CID 126430234) is (5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone is O=C(c1cncc(F)c1)N1CCC[C@@H](c2ccn(CCO)n2)C1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is DPPJFXDAIPMAPO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-14-8-13(9-18-10-14)16(23)20-4-1-2-12(11-20)15-3-5-21(19-15)6-7-22/h3,5,8-10,12,22H,1-2,4,6-7,11H2/t12-/m1/s1.
What are the key properties of (5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
(5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 318.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 126430234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).