8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one

C23H21N5O4 — CID 122341533

IUPAC8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one
SMILESCOc1cccc2cc(C(=O)N3CCN(c4ccc(-n5cccc5)nn4)CC3)c(=O)oc12
InChIInChI=1S/C23H21N5O4/c1-31-18-6-4-5-16-15-17(23(30)32-21(16)18)22(29)28-13-11-27(12-14-28)20-8-7-19(24-25-20)26-9-2-3-10-26/h2-10,15H,11-14H2,1H3
InChIKeyWEFIIOQXNNZGEN-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.34
Rot. Bonds4

About 8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one

8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one (PubChem CID 122341533) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one
PubChem CID122341533
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one
SMILESCOc1cccc2cc(C(=O)N3CCN(c4ccc(-n5cccc5)nn4)CC3)c(=O)oc12
InChIInChI=1S/C23H21N5O4/c1-31-18-6-4-5-16-15-17(23(30)32-21(16)18)22(29)28-13-11-27(12-14-28)20-8-7-19(24-25-20)26-9-2-3-10-26/h2-10,15H,11-14H2,1H3
InChIKeyWEFIIOQXNNZGEN-UHFFFAOYSA-N
XLogP2.34
TPSA93.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-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

3-(azetidine-1-carbonyl)-8-methoxychromen-2-one
CID 2443516
3-(azocane-1-carbonyl)-8-methoxychromen-2-one
CID 6471057
(2,3-dimethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799904
3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one
CID 1045007
3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one
CID 122337435
3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one
CID 122279257
8-methoxy-3-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]chromen-2-one
CID 32903287
3-(4-benzhydrylpiperazine-1-carbonyl)-8-methoxychromen-2-one
CID 1167270
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-8-methoxychromen-2-one
CID 2146242
3-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one
CID 122346085
3-[4-(1-adamantyl)piperazine-1-carbonyl]-8-methoxychromen-2-one
CID 3238543
8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one
CID 71799381

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one?
The IUPAC name of 8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one (CID 122341533) is 8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one.
What is the SMILES notation for 8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one?
The canonical SMILES for 8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one is COc1cccc2cc(C(=O)N3CCN(c4ccc(-n5cccc5)nn4)CC3)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one?
The InChIKey is WEFIIOQXNNZGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-31-18-6-4-5-16-15-17(23(30)32-21(16)18)22(29)28-13-11-27(12-14-28)20-8-7-19(24-25-20)26-9-2-3-10-26/h2-10,15H,11-14H2,1H3.
What are the key properties of 8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one?
8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one has a molecular weight of 431.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one is sourced from PubChem (CID 122341533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).