(6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

C20H21N5O — CID 125000089

IUPAC(6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H](Cc2cccnc2)C1
InChIInChI=1S/C20H21N5O/c26-20(18-6-7-19(22-14-18)25-11-3-9-23-25)24-10-2-5-17(15-24)12-16-4-1-8-21-13-16/h1,3-4,6-9,11,13-14,17H,2,5,10,12,15H2/t17-/m0/s1
InChIKeyRTKIPAYLNDIOLQ-KRWDZBQOSA-N
MW347.42 g/mol
LogP2.76
Rot. Bonds4

About (6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

(6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 125000089) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID125000089
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H](Cc2cccnc2)C1
InChIInChI=1S/C20H21N5O/c26-20(18-6-7-19(22-14-18)25-11-3-9-23-25)24-10-2-5-17(15-24)12-16-4-1-8-21-13-16/h1,3-4,6-9,11,13-14,17H,2,5,10,12,15H2/t17-/m0/s1
InChIKeyRTKIPAYLNDIOLQ-KRWDZBQOSA-N
XLogP2.76
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
(2-cyclopropylpyrimidin-5-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110103373
(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 53014451
[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125013420
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 125009158
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125000817
[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110150821
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
1,3-oxazol-5-yl-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 95846143
(6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124994294
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
(3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 154843398

Frequently Asked Questions

What is the IUPAC name of (6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (CID 125000089) is (6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H](Cc2cccnc2)C1.
What is the InChIKey of (6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is RTKIPAYLNDIOLQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(18-6-7-19(22-14-18)25-11-3-9-23-25)24-10-2-5-17(15-24)12-16-4-1-8-21-13-16/h1,3-4,6-9,11,13-14,17H,2,5,10,12,15H2/t17-/m0/s1.
What are the key properties of (6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
(6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 347.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 125000089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).