6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

C16H16BrN5S — CID 71011380

IUPAC6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(N2CCCC2)nc2c(Sc3ccccc3)cnn12
InChIInChI=1S/C16H16BrN5S/c17-13-14(18)22-15(20-16(13)21-8-4-5-9-21)12(10-19-22)23-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,18H2
InChIKeyGUWVQJAXHSXILB-UHFFFAOYSA-N
MW390.31 g/mol
LogP3.83
Rot. Bonds3

About 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71011380) has the molecular formula C16H16BrN5S and a molecular weight of 390.31 g/mol. Its IUPAC name is 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71011380
Molecular FormulaC16H16BrN5S
Molecular Weight390.31 g/mol
Exact Mass389.03
IUPAC Name6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(N2CCCC2)nc2c(Sc3ccccc3)cnn12
InChIInChI=1S/C16H16BrN5S/c17-13-14(18)22-15(20-16(13)21-8-4-5-9-21)12(10-19-22)23-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,18H2
InChIKeyGUWVQJAXHSXILB-UHFFFAOYSA-N
XLogP3.83
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine 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 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 71011380) is 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(Br)c(N2CCCC2)nc2c(Sc3ccccc3)cnn12.
What is the InChIKey of 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GUWVQJAXHSXILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5S/c17-13-14(18)22-15(20-16(13)21-8-4-5-9-21)12(10-19-22)23-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,18H2.
What are the key properties of 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 390.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71011380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).