1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one

C19H20N4O2 — CID 149177727

IUPAC1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one
SMILESO=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)CC1CNCCO1
InChIInChI=1S/C19H20N4O2/c24-18(8-19-12-20-3-4-25-19)7-17-6-15-5-13(16-10-22-23-11-16)1-2-14(15)9-21-17/h1-2,5-6,9-11,19-20H,3-4,7-8,12H2,(H,22,23)
InChIKeyXAIMNMUHAGWLTB-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.12
Rot. Bonds5

About 1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one

1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one (PubChem CID 149177727) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one
PubChem CID149177727
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one
SMILESO=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)CC1CNCCO1
InChIInChI=1S/C19H20N4O2/c24-18(8-19-12-20-3-4-25-19)7-17-6-15-5-13(16-10-22-23-11-16)1-2-14(15)9-21-17/h1-2,5-6,9-11,19-20H,3-4,7-8,12H2,(H,22,23)
InChIKeyXAIMNMUHAGWLTB-UHFFFAOYSA-N
XLogP2.12
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 149486179
1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 158095847
1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one
CID 116586355
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide
CID 175342460
N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide
CID 58082313
1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one
CID 116586283
1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one
CID 116586248
1-morpholin-2-ylbutan-2-one
CID 116586154
N-(1H-indazol-5-yl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119683898
N,N-dimethyl-5-[5-[[(2S)-morpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyridin-2-amine;hydrochloride
CID 66556886
4-[(dimethylamino)methyl]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 163798960
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one?
The IUPAC name of 1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one (CID 149177727) is 1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one.
What is the SMILES notation for 1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one?
The canonical SMILES for 1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one is O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)CC1CNCCO1.
What is the InChIKey of 1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one?
The InChIKey is XAIMNMUHAGWLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(8-19-12-20-3-4-25-19)7-17-6-15-5-13(16-10-22-23-11-16)1-2-14(15)9-21-17/h1-2,5-6,9-11,19-20H,3-4,7-8,12H2,(H,22,23).
What are the key properties of 1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one?
1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one has a molecular weight of 336.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one is sourced from PubChem (CID 149177727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).