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

C16H12BrN5O — CID 10384499

IUPAC3-bromo-5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3cccnc3)cc(-c3ccoc3)nc12
InChIInChI=1S/C16H12BrN5O/c17-13-9-20-22-15(19-8-11-2-1-4-18-7-11)6-14(21-16(13)22)12-3-5-23-10-12/h1-7,9-10,19H,8H2
InChIKeyHDLUCEVNWZGIPR-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.76
Rot. Bonds4

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

3-bromo-5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 10384499) has the molecular formula C16H12BrN5O and a molecular weight of 370.21 g/mol. Its IUPAC name is 3-bromo-5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID10384499
Molecular FormulaC16H12BrN5O
Molecular Weight370.21 g/mol
Exact Mass369.02
IUPAC Name3-bromo-5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3cccnc3)cc(-c3ccoc3)nc12
InChIInChI=1S/C16H12BrN5O/c17-13-9-20-22-15(19-8-11-2-1-4-18-7-11)6-14(21-16(13)22)12-3-5-23-10-12/h1-7,9-10,19H,8H2
InChIKeyHDLUCEVNWZGIPR-UHFFFAOYSA-N
XLogP3.76
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.76
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-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 10384499) is 3-bromo-5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(NCc3cccnc3)cc(-c3ccoc3)nc12.
What is the InChIKey of 3-bromo-5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HDLUCEVNWZGIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN5O/c17-13-9-20-22-15(19-8-11-2-1-4-18-7-11)6-14(21-16(13)22)12-3-5-23-10-12/h1-7,9-10,19H,8H2.
What are the key properties of 3-bromo-5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 370.21 g/mol, XLogP of 3.76, 4 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-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 10384499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).