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

C18H18N4O — CID 124970609

IUPACisoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cn[nH]c1[C@@H]1CCN(C(=O)c2nccc3ccccc23)C1
InChIInChI=1S/C18H18N4O/c1-12-10-20-21-16(12)14-7-9-22(11-14)18(23)17-15-5-3-2-4-13(15)6-8-19-17/h2-6,8,10,14H,7,9,11H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyJREGSDCCIFCMRH-CQSZACIVSA-N
MW306.37 g/mol
LogP2.90
Rot. Bonds2

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

isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 124970609) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameisoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID124970609
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Nameisoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cn[nH]c1[C@@H]1CCN(C(=O)c2nccc3ccccc23)C1
InChIInChI=1S/C18H18N4O/c1-12-10-20-21-16(12)14-7-9-22(11-14)18(23)17-15-5-3-2-4-13(15)6-8-19-17/h2-6,8,10,14H,7,9,11H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyJREGSDCCIFCMRH-CQSZACIVSA-N
XLogP2.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-1-yl-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124951974
isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106635
[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 127247164
(2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 110236660
[(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 164633243
3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 95845426
isoquinolin-1-yl-[3-(methylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119413779
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
(1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247491
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124967892
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 95845191
2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124974332

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 124970609) is isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2nccc3ccccc23)C1.
What is the InChIKey of isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JREGSDCCIFCMRH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-10-20-21-16(12)14-7-9-22(11-14)18(23)17-15-5-3-2-4-13(15)6-8-19-17/h2-6,8,10,14H,7,9,11H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 306.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124970609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).