2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one

C20H19N7O2 — CID 126940482

IUPAC2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCc1nc2ccccc2nc1NC1COCC1n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C20H19N7O2/c1-13-20(23-15-6-3-2-5-14(15)22-13)24-16-11-29-12-17(16)27-19(28)8-7-18(25-27)26-10-4-9-21-26/h2-10,16-17H,11-12H2,1H3,(H,23,24)
InChIKeyHRMXPAKKEFXQGL-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.73
Rot. Bonds4

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

2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 126940482) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
PubChem CID126940482
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCc1nc2ccccc2nc1NC1COCC1n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C20H19N7O2/c1-13-20(23-15-6-3-2-5-14(15)22-13)24-16-11-29-12-17(16)27-19(28)8-7-18(25-27)26-10-4-9-21-26/h2-10,16-17H,11-12H2,1H3,(H,23,24)
InChIKeyHRMXPAKKEFXQGL-UHFFFAOYSA-N
XLogP1.73
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one with MolForge

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Related Compounds

2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 126940480
6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940477
3,5-dimethyl-N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-1H-pyrazole-4-sulfonamide
CID 126940460
N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide
CID 126940448
6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939094
5-cyclopropyl-N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 126940449
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 126940514
2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one
CID 126938882
N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126940457
2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126938713
2-methyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 126938763
2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one
CID 126938814

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one (CID 126940482) is 2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one is Cc1nc2ccccc2nc1NC1COCC1n1nc(-n2cccn2)ccc1=O.
What is the InChIKey of 2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one?
The InChIKey is HRMXPAKKEFXQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-13-20(23-15-6-3-2-5-14(15)22-13)24-16-11-29-12-17(16)27-19(28)8-7-18(25-27)26-10-4-9-21-26/h2-10,16-17H,11-12H2,1H3,(H,23,24).
What are the key properties of 2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one?
2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 389.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126940482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).