2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide

C19H15N5O4 — CID 56765796

IUPAC2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide
SMILESO=C(NCCn1nc(-n2cccn2)ccc1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H15N5O4/c25-17-7-6-16(23-10-3-8-21-23)22-24(17)11-9-20-18(26)14-12-13-4-1-2-5-15(13)28-19(14)27/h1-8,10,12H,9,11H2,(H,20,26)
InChIKeyKVVTYKFLEVEBQB-UHFFFAOYSA-N
MW377.36 g/mol
LogP0.97
Rot. Bonds5

About 2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide

2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide (PubChem CID 56765796) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is 2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide
PubChem CID56765796
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC Name2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide
SMILESO=C(NCCn1nc(-n2cccn2)ccc1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H15N5O4/c25-17-7-6-16(23-10-3-8-21-23)22-24(17)11-9-20-18(26)14-12-13-4-1-2-5-15(13)28-19(14)27/h1-8,10,12H,9,11H2,(H,20,26)
InChIKeyKVVTYKFLEVEBQB-UHFFFAOYSA-N
XLogP0.97
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide (CID 56765796) is 2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide is O=C(NCCn1nc(-n2cccn2)ccc1=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide?
The InChIKey is KVVTYKFLEVEBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c25-17-7-6-16(23-10-3-8-21-23)22-24(17)11-9-20-18(26)14-12-13-4-1-2-5-15(13)28-19(14)27/h1-8,10,12H,9,11H2,(H,20,26).
What are the key properties of 2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide?
2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide has a molecular weight of 377.36 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]chromene-3-carboxamide is sourced from PubChem (CID 56765796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).