2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one

C20H18N6O2 — CID 126940480

IUPAC2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2cccn2)nn1C1COCC1Nc1nccc2ccccc12
InChIInChI=1S/C20H18N6O2/c27-19-7-6-18(25-11-3-9-22-25)24-26(19)17-13-28-12-16(17)23-20-15-5-2-1-4-14(15)8-10-21-20/h1-11,16-17H,12-13H2,(H,21,23)
InChIKeyJUZIVVJPPXEEGV-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.03
Rot. Bonds4

About 2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one

2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 126940480) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
PubChem CID126940480
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2cccn2)nn1C1COCC1Nc1nccc2ccccc12
InChIInChI=1S/C20H18N6O2/c27-19-7-6-18(25-11-3-9-22-25)24-26(19)17-13-28-12-16(17)23-20-15-5-2-1-4-14(15)8-10-21-20/h1-11,16-17H,12-13H2,(H,21,23)
InChIKeyJUZIVVJPPXEEGV-UHFFFAOYSA-N
XLogP2.03
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 126940482
6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940477
N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide
CID 126940448
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 126940514
3,5-dimethyl-N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-1H-pyrazole-4-sulfonamide
CID 126940460
5-cyclopropyl-N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 126940449
N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126940457
6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940401
N-[(3S,4R)-4-methoxyoxolan-3-yl]isoquinolin-1-amine
CID 134707695
2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126938713
6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one
CID 126939070
6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939094

Frequently Asked Questions

What is the IUPAC name of 2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one (CID 126940480) is 2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one is O=c1ccc(-n2cccn2)nn1C1COCC1Nc1nccc2ccccc12.
What is the InChIKey of 2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one?
The InChIKey is JUZIVVJPPXEEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c27-19-7-6-18(25-11-3-9-22-25)24-26(19)17-13-28-12-16(17)23-20-15-5-2-1-4-14(15)8-10-21-20/h1-11,16-17H,12-13H2,(H,21,23).
What are the key properties of 2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one?
2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 374.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126940480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).