3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

C15H10BrN5O — CID 10450885

IUPAC3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(Nc3ccncc3)cc(-c3ccoc3)nc12
InChIInChI=1S/C15H10BrN5O/c16-12-8-18-21-14(19-11-1-4-17-5-2-11)7-13(20-15(12)21)10-3-6-22-9-10/h1-9H,(H,17,19)
InChIKeyYRGOUIPSSUOMKB-UHFFFAOYSA-N
MW356.18 g/mol
LogP3.89
Rot. Bonds3

About 3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 10450885) has the molecular formula C15H10BrN5O and a molecular weight of 356.18 g/mol. Its IUPAC name is 3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID10450885
Molecular FormulaC15H10BrN5O
Molecular Weight356.18 g/mol
Exact Mass355.01
IUPAC Name3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(Nc3ccncc3)cc(-c3ccoc3)nc12
InChIInChI=1S/C15H10BrN5O/c16-12-8-18-21-14(19-11-1-4-17-5-2-11)7-13(20-15(12)21)10-3-6-22-9-10/h1-9H,(H,17,19)
InChIKeyYRGOUIPSSUOMKB-UHFFFAOYSA-N
XLogP3.89
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 10450885) is 3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(Nc3ccncc3)cc(-c3ccoc3)nc12.
What is the InChIKey of 3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YRGOUIPSSUOMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN5O/c16-12-8-18-21-14(19-11-1-4-17-5-2-11)7-13(20-15(12)21)10-3-6-22-9-10/h1-9H,(H,17,19).
What are the key properties of 3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 356.18 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 10450885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).