N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide

C21H18N6O3 — CID 126940448

IUPACN-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide
SMILESO=C(NC1COCC1n1nc(-n2cccn2)ccc1=O)c1ccc2ncccc2c1
InChIInChI=1S/C21H18N6O3/c28-20-7-6-19(26-10-2-9-23-26)25-27(20)18-13-30-12-17(18)24-21(29)15-4-5-16-14(11-15)3-1-8-22-16/h1-11,17-18H,12-13H2,(H,24,29)
InChIKeyPUMHEMYYVFKRRR-UHFFFAOYSA-N
MW402.41 g/mol
LogP1.35
Rot. Bonds4

About N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide

N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide (PubChem CID 126940448) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide
PubChem CID126940448
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC NameN-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide
SMILESO=C(NC1COCC1n1nc(-n2cccn2)ccc1=O)c1ccc2ncccc2c1
InChIInChI=1S/C21H18N6O3/c28-20-7-6-19(26-10-2-9-23-26)25-27(20)18-13-30-12-17(18)24-21(29)15-4-5-16-14(11-15)3-1-8-22-16/h1-11,17-18H,12-13H2,(H,24,29)
InChIKeyPUMHEMYYVFKRRR-UHFFFAOYSA-N
XLogP1.35
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide
CID 126938792
5-cyclopropyl-N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 126940449
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
2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 126940482
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 126940514
N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide
CID 126940248
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]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126940457
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126938910
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide
CID 110128202
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide?
The IUPAC name of N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide (CID 126940448) is N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide?
The canonical SMILES for N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide is O=C(NC1COCC1n1nc(-n2cccn2)ccc1=O)c1ccc2ncccc2c1.
What is the InChIKey of N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide?
The InChIKey is PUMHEMYYVFKRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c28-20-7-6-19(26-10-2-9-23-26)25-27(20)18-13-30-12-17(18)24-21(29)15-4-5-16-14(11-15)3-1-8-22-16/h1-11,17-18H,12-13H2,(H,24,29).
What are the key properties of N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide?
N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide is sourced from PubChem (CID 126940448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).