2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one

C19H17N3O4 — CID 90638745

IUPAC2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
SMILESCc1ccc(OC2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)nn1
InChIInChI=1S/C19H17N3O4/c1-12-6-7-18(21-20-12)25-13-8-9-22(11-13)19(24)17-10-15(23)14-4-2-3-5-16(14)26-17/h2-7,10,13H,8-9,11H2,1H3
InChIKeyCPLRAYPPASWRDF-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.18
Rot. Bonds3

About 2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one

2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one (PubChem CID 90638745) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
PubChem CID90638745
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
SMILESCc1ccc(OC2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)nn1
InChIInChI=1S/C19H17N3O4/c1-12-6-7-18(21-20-12)25-13-8-9-22(11-13)19(24)17-10-15(23)14-4-2-3-5-16(14)26-17/h2-7,10,13H,8-9,11H2,1H3
InChIKeyCPLRAYPPASWRDF-UHFFFAOYSA-N
XLogP2.18
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one 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

2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
CID 90628576
2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122259866
2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122255813
2-[(3R)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582758
2-[(3S)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582759
2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one
CID 122247215
1H-indol-3-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626807
(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627189
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one?
The IUPAC name of 2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one (CID 90638745) is 2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one?
The canonical SMILES for 2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one is Cc1ccc(OC2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)nn1.
What is the InChIKey of 2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one?
The InChIKey is CPLRAYPPASWRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-6-7-18(21-20-12)25-13-8-9-22(11-13)19(24)17-10-15(23)14-4-2-3-5-16(14)26-17/h2-7,10,13H,8-9,11H2,1H3.
What are the key properties of 2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one?
2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one has a molecular weight of 351.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 90638745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).