5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide

C16H16BrN3O2 — CID 53164080

IUPAC5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide
SMILESCC(C)n1nc(CNC(=O)c2ccc(Br)o2)c2ccccc21
InChIInChI=1S/C16H16BrN3O2/c1-10(2)20-13-6-4-3-5-11(13)12(19-20)9-18-16(21)14-7-8-15(17)22-14/h3-8,10H,9H2,1-2H3,(H,18,21)
InChIKeyYAIUYBSHTMDYBO-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.90
Rot. Bonds4

About 5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide

5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide (PubChem CID 53164080) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide
PubChem CID53164080
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide
SMILESCC(C)n1nc(CNC(=O)c2ccc(Br)o2)c2ccccc21
InChIInChI=1S/C16H16BrN3O2/c1-10(2)20-13-6-4-3-5-11(13)12(19-20)9-18-16(21)14-7-8-15(17)22-14/h3-8,10H,9H2,1-2H3,(H,18,21)
InChIKeyYAIUYBSHTMDYBO-UHFFFAOYSA-N
XLogP3.90
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide (CID 53164080) is 5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide is CC(C)n1nc(CNC(=O)c2ccc(Br)o2)c2ccccc21.
What is the InChIKey of 5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide?
The InChIKey is YAIUYBSHTMDYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-10(2)20-13-6-4-3-5-11(13)12(19-20)9-18-16(21)14-7-8-15(17)22-14/h3-8,10H,9H2,1-2H3,(H,18,21).
What are the key properties of 5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide has a molecular weight of 362.23 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-propan-2-ylindazol-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 53164080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).