3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one

C23H24N4O4 — CID 122279257

IUPAC3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one
SMILESCCOc1cccc2cc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c(=O)oc12
InChIInChI=1S/C23H24N4O4/c1-2-30-19-5-3-4-16-14-17(23(29)31-21(16)19)22(28)27-12-10-26(11-13-27)20-9-8-18(24-25-20)15-6-7-15/h3-5,8-9,14-15H,2,6-7,10-13H2,1H3
InChIKeyJGMXFGJRFDRWNT-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.82
Rot. Bonds5

About 3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one

3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one (PubChem CID 122279257) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one.

Molecular Properties

Compound Name3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one
PubChem CID122279257
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one
SMILESCCOc1cccc2cc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c(=O)oc12
InChIInChI=1S/C23H24N4O4/c1-2-30-19-5-3-4-16-14-17(23(29)31-21(16)19)22(28)27-12-10-26(11-13-27)20-9-8-18(24-25-20)15-6-7-15/h3-5,8-9,14-15H,2,6-7,10-13H2,1H3
InChIKeyJGMXFGJRFDRWNT-UHFFFAOYSA-N
XLogP2.82
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one
CID 122341533
3-acetyl-8-ethoxychromen-2-one
CID 3266617
3-(azetidine-1-carbonyl)-8-methoxychromen-2-one
CID 2443516
3-[3-(4-cyclopropyltriazol-1-yl)azetidine-1-carbonyl]-8-methoxychromen-2-one
CID 121190140
3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one
CID 122337435
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-8-ethoxy-2-oxochromene-3-carboxamide
CID 121120267
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 122279263
3-(azocane-1-carbonyl)-8-methoxychromen-2-one
CID 6471057
3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one
CID 1045007
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one?
The IUPAC name of 3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one (CID 122279257) is 3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one.
What is the SMILES notation for 3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one?
The canonical SMILES for 3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one is CCOc1cccc2cc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c(=O)oc12.
What is the InChIKey of 3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one?
The InChIKey is JGMXFGJRFDRWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-2-30-19-5-3-4-16-14-17(23(29)31-21(16)19)22(28)27-12-10-26(11-13-27)20-9-8-18(24-25-20)15-6-7-15/h3-5,8-9,14-15H,2,6-7,10-13H2,1H3.
What are the key properties of 3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one?
3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one has a molecular weight of 420.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one is sourced from PubChem (CID 122279257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).