5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide

C15H15BrN6O2 — CID 16654419

IUPAC5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide
SMILESCc1ccn(-c2ccc(NCCNC(=O)c3ccc(Br)o3)nn2)n1
InChIInChI=1S/C15H15BrN6O2/c1-10-6-9-22(21-10)14-5-4-13(19-20-14)17-7-8-18-15(23)11-2-3-12(16)24-11/h2-6,9H,7-8H2,1H3,(H,17,19)(H,18,23)
InChIKeyIQBOGHOYAOXFPO-UHFFFAOYSA-N
MW391.23 g/mol
LogP2.17
Rot. Bonds6

About 5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide

5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide (PubChem CID 16654419) has the molecular formula C15H15BrN6O2 and a molecular weight of 391.23 g/mol. Its IUPAC name is 5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide
PubChem CID16654419
Molecular FormulaC15H15BrN6O2
Molecular Weight391.23 g/mol
Exact Mass390.04
IUPAC Name5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide
SMILESCc1ccn(-c2ccc(NCCNC(=O)c3ccc(Br)o3)nn2)n1
InChIInChI=1S/C15H15BrN6O2/c1-10-6-9-22(21-10)14-5-4-13(19-20-14)17-7-8-18-15(23)11-2-3-12(16)24-11/h2-6,9H,7-8H2,1H3,(H,17,19)(H,18,23)
InChIKeyIQBOGHOYAOXFPO-UHFFFAOYSA-N
XLogP2.17
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide (CID 16654419) is 5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide is Cc1ccn(-c2ccc(NCCNC(=O)c3ccc(Br)o3)nn2)n1.
What is the InChIKey of 5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide?
The InChIKey is IQBOGHOYAOXFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O2/c1-10-6-9-22(21-10)14-5-4-13(19-20-14)17-7-8-18-15(23)11-2-3-12(16)24-11/h2-6,9H,7-8H2,1H3,(H,17,19)(H,18,23).
What are the key properties of 5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide?
5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide has a molecular weight of 391.23 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 16654419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).