5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide

C15H15BrN6O2 — CID 30867976

IUPAC5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide
SMILESCc1nc(NCCNC(=O)c2ccc(Br)o2)cc(-n2cccn2)n1
InChIInChI=1S/C15H15BrN6O2/c1-10-20-13(9-14(21-10)22-8-2-5-19-22)17-6-7-18-15(23)11-3-4-12(16)24-11/h2-5,8-9H,6-7H2,1H3,(H,18,23)(H,17,20,21)
InChIKeyFQLKRJIPKSOTGD-UHFFFAOYSA-N
MW391.23 g/mol
LogP2.17
Rot. Bonds6

About 5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide

5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide (PubChem CID 30867976) has the molecular formula C15H15BrN6O2 and a molecular weight of 391.23 g/mol. Its IUPAC name is 5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide
PubChem CID30867976
Molecular FormulaC15H15BrN6O2
Molecular Weight391.23 g/mol
Exact Mass390.04
IUPAC Name5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide
SMILESCc1nc(NCCNC(=O)c2ccc(Br)o2)cc(-n2cccn2)n1
InChIInChI=1S/C15H15BrN6O2/c1-10-20-13(9-14(21-10)22-8-2-5-19-22)17-6-7-18-15(23)11-3-4-12(16)24-11/h2-5,8-9H,6-7H2,1H3,(H,18,23)(H,17,20,21)
InChIKeyFQLKRJIPKSOTGD-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'}

Analyze 5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide (CID 30867976) is 5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide is Cc1nc(NCCNC(=O)c2ccc(Br)o2)cc(-n2cccn2)n1.
What is the InChIKey of 5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide?
The InChIKey is FQLKRJIPKSOTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O2/c1-10-20-13(9-14(21-10)22-8-2-5-19-22)17-6-7-18-15(23)11-3-4-12(16)24-11/h2-5,8-9H,6-7H2,1H3,(H,18,23)(H,17,20,21).
What are the key properties of 5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide?
5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-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-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 30867976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).