[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

C20H21N5O — CID 125003762

IUPAC[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@@H](Cc2ccccn2)C1
InChIInChI=1S/C20H21N5O/c26-20(19-12-18(23-24-19)16-6-3-8-21-13-16)25-10-4-5-15(14-25)11-17-7-1-2-9-22-17/h1-3,6-9,12-13,15H,4-5,10-11,14H2,(H,23,24)/t15-/m0/s1
InChIKeySTUFBDCQRUOHSO-HNNXBMFYSA-N
MW347.42 g/mol
LogP2.96
Rot. Bonds4

About [(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (PubChem CID 125003762) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
PubChem CID125003762
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@@H](Cc2ccccn2)C1
InChIInChI=1S/C20H21N5O/c26-20(19-12-18(23-24-19)16-6-3-8-21-13-16)25-10-4-5-15(14-25)11-17-7-1-2-9-22-17/h1-3,6-9,12-13,15H,4-5,10-11,14H2,(H,23,24)/t15-/m0/s1
InChIKeySTUFBDCQRUOHSO-HNNXBMFYSA-N
XLogP2.96
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone with MolForge

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Related Compounds

[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 110106668
(3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069495
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
CID 93069503
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
CID 93059395
(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069459
N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53087698
(2-cyclopropylpyrimidin-5-yl)-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 125026604
(3S)-N-[(4-fluorophenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069498
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
N-cyclopentyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087604
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (CID 125003762) is [(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@@H](Cc2ccccn2)C1.
What is the InChIKey of [(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is STUFBDCQRUOHSO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(19-12-18(23-24-19)16-6-3-8-21-13-16)25-10-4-5-15(14-25)11-17-7-1-2-9-22-17/h1-3,6-9,12-13,15H,4-5,10-11,14H2,(H,23,24)/t15-/m0/s1.
What are the key properties of [(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 125003762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).