3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C16H12BrN5S — CID 10475216

IUPAC3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3cccnc3)cc(-c3cccs3)nc12
InChIInChI=1S/C16H12BrN5S/c17-12-10-20-22-15(19-9-11-3-1-5-18-8-11)7-13(21-16(12)22)14-4-2-6-23-14/h1-8,10,19H,9H2
InChIKeyJQSIFAJCGCUSRC-UHFFFAOYSA-N
MW386.28 g/mol
LogP4.23
Rot. Bonds4

About 3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 10475216) has the molecular formula C16H12BrN5S and a molecular weight of 386.28 g/mol. Its IUPAC name is 3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID10475216
Molecular FormulaC16H12BrN5S
Molecular Weight386.28 g/mol
Exact Mass385.00
IUPAC Name3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3cccnc3)cc(-c3cccs3)nc12
InChIInChI=1S/C16H12BrN5S/c17-12-10-20-22-15(19-9-11-3-1-5-18-8-11)7-13(21-16(12)22)14-4-2-6-23-14/h1-8,10,19H,9H2
InChIKeyJQSIFAJCGCUSRC-UHFFFAOYSA-N
XLogP4.23
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 10475216) is 3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(NCc3cccnc3)cc(-c3cccs3)nc12.
What is the InChIKey of 3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JQSIFAJCGCUSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN5S/c17-12-10-20-22-15(19-9-11-3-1-5-18-8-11)7-13(21-16(12)22)14-4-2-6-23-14/h1-8,10,19H,9H2.
What are the key properties of 3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 386.28 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 10475216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).