isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone

C20H22N4O — CID 110106635

IUPACisoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cn[nH]c1CC1CCCN(C(=O)c2nccc3ccccc23)C1
InChIInChI=1S/C20H22N4O/c1-14-12-22-23-18(14)11-15-5-4-10-24(13-15)20(25)19-17-7-3-2-6-16(17)8-9-21-19/h2-3,6-9,12,15H,4-5,10-11,13H2,1H3,(H,22,23)
InChIKeyRTBHNJFZEDUJRA-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.36
Rot. Bonds3

About isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone

isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 110106635) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameisoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID110106635
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Nameisoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cn[nH]c1CC1CCCN(C(=O)c2nccc3ccccc23)C1
InChIInChI=1S/C20H22N4O/c1-14-12-22-23-18(14)11-15-5-4-10-24(13-15)20(25)19-17-7-3-2-6-16(17)8-9-21-19/h2-3,6-9,12,15H,4-5,10-11,13H2,1H3,(H,22,23)
InChIKeyRTBHNJFZEDUJRA-UHFFFAOYSA-N
XLogP3.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 110103462
isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124970609
(5-methylpyrazin-2-yl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106565
(5-methylpyrazin-2-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124970869
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 125010567
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 125002143
(2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 125009660
1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110106586
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124961599
2-cyclopropyl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 125011292
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124969786
[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124969785

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone (CID 110106635) is isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone is Cc1cn[nH]c1CC1CCCN(C(=O)c2nccc3ccccc23)C1.
What is the InChIKey of isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is RTBHNJFZEDUJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-12-22-23-18(14)11-15-5-4-10-24(13-15)20(25)19-17-7-3-2-6-16(17)8-9-21-19/h2-3,6-9,12,15H,4-5,10-11,13H2,1H3,(H,22,23).
What are the key properties of isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110106635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).